Tirilazad

Tirilazad

SCHEMBL49410

CS(=O)(=O)O.C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1.O

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of Tirilazad. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 1/20 0.92
ADRB2 known ✓ P07550 1/20 0.92
ADRA2A known ✓ P08913 1/20 0.92
ADRA2C known ✓ P18825 1/20 0.92
DRD1 known ✓ P21728 1/20 0.92
HTR2A known ✓ P28223 1/20 0.92
HTR2C known ✓ P28335 1/20 0.92
DRD3 known ✓ P35462 1/20 0.92
CHRM1 known ✓ P11229 1/20 0.35
KCNH2 Q12809 2/20 0.92
PGR P06401 2/20 0.92
AR P10275 2/20 0.92
LCK P06239 1/20 0.92
FYN P06241 1/20 0.92
CHRM2 P08172 1/20 0.92
ADORA3 P0DMS8 1/20 0.92
PTGS1 P23219 1/20 0.92
HRH2 P25021 1/20 0.92
MAPK3 P27361 1/20 0.92
PDE4A P27815 1/20 0.92

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tirilazad SCHEMBL15263492 1.00 KCNH2 (0.92) KCNH2PGRAREGFRLCK
Tirilazad SCHEMBL10695568 0.99 KCNH2 (0.93) KCNH2PGRAREGFRLCK
Tirilazad SCHEMBL29373864 0.99 KCNH2 (0.93) KCNH2PGRAREGFRLCK
Tirilazad SCHEMBL9069954 0.99 KCNH2 (0.93) KCNH2PGRAREGFRLCK
Tirilazad SCHEMBL9221827 0.99 KCNH2 (0.93) KCNH2PGRAREGFRLCK
Tirilazad SCHEMBL9724980 0.99 KCNH2 (0.93) KCNH2PGRAREGFRLCK
Tirilazad SCHEMBL10697047 0.99 KCNH2 (0.93) KCNH2PGRAREGFRLCK
Tirilazad SCHEMBL1650168 0.99 KCNH2 (0.93) KCNH2PGRAREGFRLCK
Tirilazad SCHEMBL483318 0.96 PGR (1.00) KCNH2PGRAREGFRLCK
Tirilazad SCHEMBL4938280 0.96 PGR (1.00) KCNH2PGRAREGFRLCK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 985 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3274008-B1 DETECTION OF BRAIN INJURY THE UNIV OF MONTANA (US) 2024-12-04 EP claimed
EP-3875078-A1 COMPOUNDS FOR THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2021-09-08 EP claimed
US-10202649-B2 Detection of traumatic brain injury THE UNIVERSITY OF MONTANA (US) 2019-02-12 US claimed
EP-3274008-A1 DETECTION OF BRAIN INJURY The University of Montana (US) 2018-01-31 EP claimed
CN-107427614-A The detection of brain damage 蒙大拿大学 2017-12-01 CN claimed
US-20170268058-A1 Detection of Traumatic Brain Injury GLIA DIAGNOSTICS PTY LTD (AU) 2017-09-21 US claimed
CN-104288168-B Purposes of the cryptogenin in the medicine for preparing the disease for being used for treating and/or prevent microglia to mediate 吉林敖东洮南药业股份有限公司 2017-08-18 CN claimed
US-9605315-B2 Detection of traumatic brain injury THE UNIVERSITY OF MONTANA (US) 2017-03-28 US claimed
WO-2016153549-A1 DETECTION OF BRAIN INJURY THE UNIVERSITY OF MONTANA (US) 2016-09-29 WO claimed
US-20150344954-A1 Detection of Brain Injury GLIA DIAGNOSTICS PTY LTD (AU) 2015-12-03 US claimed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP claimed
EP-0784471-A4 MULTI-FACETED METHOD TO REPRESS REPRODUCTION OF LATENT VIRUSES IN HUMANS AND ANIMALS DYKE KNOX VAN (US) 1997-11-19 EP claimed
CN-1156962-A Co-soluble parenteral formulation of tirilade UPJOHN CO (US) 1997-08-13 CN claimed
EP-0784471-A2 MULTI-FACETED METHOD TO REPRESS REPRODUCTION OF LATENT VIRUSES IN HUMANS AND ANIMALS Van Dyke, Knox (US) 1997-07-23 EP claimed
EP-0778775-A1 COSOLVENT PARENTERAL FORMULATION OF TIRILAZAD PHARMACIA & UPJOHN COMPANY (US) 1997-06-18 EP claimed
WO-1997016967-A1 COMPOSITIONS AND METHODS FOR PROMOTING BLOOD COMPONENT SURVIVAL BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 1997-05-15 WO claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP claimed
WO-1996010402-A1 MULTI-FACETED METHOD TO REPRESS REPRODUCTION OF LATENT VIRUSES IN HUMANS AND ANIMALS DYKE KNOX VAN (US) 1996-04-11 WO claimed
WO-1996006618-A1 COSOLVENT PARENTERAL FORMULATION OF TIRILAZAD PHARMACIA & UPJOHN COMPANY (US) 1996-03-07 WO claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO claimed