SCHEMBL16700855

SCHEMBL16700855

CCC(c1ccccc1)n1ccnc1.CS(=O)(=O)O

nearest known ligand 0.68

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 16/20 0.68
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
CYP3A4 P08684 1/20 0.52
CYP24A1 Q07973 3/20 0.52

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
SCHEMBL5297627 0.90 CYP17A1 (0.82) CYP17A1CYP11B1CYP11B2CYP3A4
Trifluoromethanesulfonic Acid SCHEMBL16700976 0.90 CYP17A1 (0.62) CYP17A1CYP11B1CYP11B2CYP3A4CYP24A1
Nitric Acid SCHEMBL16700594 0.85 CYP17A1 (0.67) CYP17A1CYP11B1CYP11B2CYP3A4CYP24A1
Benzophenone SCHEMBL28921051 0.85 CYP17A1 (0.67) CYP17A1CYP11B1CYP11B2CYP3A4CYP24A1
Trifluoroacetic Acid SCHEMBL16700176 0.84 CYP17A1 (0.65) CYP17A1CYP11B1CYP11B2CYP3A4CYP24A1
SCHEMBL28169691 0.82 CYP19A1 (0.75) CYP17A1CYP11B1CYP11B2CYP3A4
SCHEMBL28316893 0.81 CYP26A1 (0.67) CYP17A1CYP11B1CYP11B2CYP3A4
SCHEMBL14863192 0.78 CYP19A1 (0.54) CYP17A1CYP11B1CYP11B2CYP3A4CYP24A1
SCHEMBL4578052 0.78 CYP17A1 (0.83) CYP17A1CYP11B1CYP11B2CYP3A4CYP24A1
SCHEMBL6949630 0.77 CYP19A1 (0.61) CYP17A1CYP3A4CYP24A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3244987-B1 SEPARATIONS WITH IONIC LIQUID SOLVENTS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2022-06-22 EP claimed
EP-3244987-A1 SEPARATIONS WITH IONIC LIQUID SOLVENTS Chevron Phillips Chemical Company LP (US) 2017-11-22 EP claimed
US-20150133711-A1 Separations With Ionic Liquid Solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP 2015-05-14 US claimed
EP-3244987-B1 SEPARATIONS WITH IONIC LIQUID SOLVENTS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2022-06-22 EP disclosed
US-10227274-B2 Separations with ionic liquid solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2019-03-12 US disclosed
EP-3244987-A1 SEPARATIONS WITH IONIC LIQUID SOLVENTS Chevron Phillips Chemical Company LP (US) 2017-11-22 EP disclosed
US-20150133711-A1 Separations With Ionic Liquid Solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP 2015-05-14 US disclosed