SCHEMBL7588320

SCHEMBL7588320

CS(=O)(=O)O.O=C(O)c1ccc(NC2=NCCN2)cc1

nearest known ligand 0.69

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 10)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 12/20 0.69
ADRA2B known ✓ P18089 12/20 0.69
ADRA2C known ✓ P18825 12/20 0.69
F2 known ✓ P00734 1/20 0.56
PTGIR P43119 6/20 0.61
C1R P00736 1/20 0.56
F10 P00742 1/20 0.56
KLKB1 P03952 1/20 0.56
KLK1 P06870 1/20 0.56
PRSS1 P07477 1/20 0.56

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
SCHEMBL8953899 0.93 ADRA2A (0.79) ADRA2AADRA2BADRA2CPTGIR
Hydrochloric Acid SCHEMBL3899129 0.91 ADRA2A (0.77) ADRA2AADRA2BADRA2CPTGIR
Hydrochloric Acid SCHEMBL7601691 0.91 ADRA2A (0.77) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5806616 0.85 ADRA2A (0.76) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL7588328 0.83 ADRA2A (0.64) ADRA2AADRA2BADRA2CPTGIRF2
SCHEMBL27275424 0.80 ADRA2A (0.77) ADRA2AADRA2BADRA2CPTGIRF2
Hydrochloric Acid SCHEMBL7601687 0.78 ADRA2A (0.75) ADRA2AADRA2BADRA2CPTGIRPRSS1
SCHEMBL25605204 0.78 ADRA2A (0.75) ADRA2AADRA2BADRA2CPTGIRPRSS1
SCHEMBL7753126 0.76 ADRA2A (0.58) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL6158137 0.76 ADRA2A (0.66) ADRA2AADRA2BADRA2CPTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4777182-A ENZYME, HORMONE, COMPLEMENT INHIBITORS TORII & CO., LTD. (JP) 1988-10-11 US claimed
EP-0802179-B1 SUBSTITUTED AMIDINONAPHTHYL ESTER DERIVATIVES TORII PHARMACEUTICAL CO LTD (JP) 2002-08-21 EP disclosed
US-5885990-A FIBRINOLYSIS PROMOTING ACTION; THROMBOLYSIS ACTION TORII PHARMACEUTICAL CO., LTD. (JP) 1999-03-23 US disclosed
EP-0802179-A1 SUBSTITUTED AMIDINONAPHTHYL ESTER DERIVATIVES TORII PHARMACEUTICAL CO., LTD. (JP) 1997-10-22 EP disclosed
EP-0190356-B1 NOVEL AMIDINE COMPOUNDS TORII & CO., LTD. (JP) 1991-03-06 EP disclosed
US-4820730-A ANTI-TRYPSIN, ANTI-PLASMIN, ANTI-THROMBIN, ANTI-KALLIKREIN ACTIVITY TORII & CO., LTD. (JP) 1989-04-11 US disclosed
US-4777182-A ENZYME, HORMONE, COMPLEMENT INHIBITORS TORII & CO., LTD. (JP) 1988-10-11 US disclosed
EP-0190356-A1 NOVEL AMIDINE COMPOUNDS TORII & CO., LTD. (JP) 1986-08-13 EP disclosed