SCHEMBL7651983

SCHEMBL7651983

CNCc1ccc(-c2ccccc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.59

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 12)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 17/20 0.59
F10 P00742 17/20 0.59
F7 P08709 16/20 0.59
F3 P13726 16/20 0.59
PLG P00747 11/20 0.59
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
PLAU P00749 3/20 0.52
PLAT P00750 3/20 0.52
KLK1 P06870 1/20 0.47
KLK5 Q9Y337 1/20 0.47

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
SCHEMBL7656911 0.96 F2 (0.62) F2F10F7F3PLG
SCHEMBL7681313 0.96 F2 (0.62) F2F10F7F3PLG
SCHEMBL7654813 0.92 F2 (0.66) F2F10F7F3PLG
SCHEMBL7665762 0.90 F2 (0.66) F2F10F7F3PLG
SCHEMBL7660727 0.87 F2 (0.64) F2F10F7F3PLG
SCHEMBL7665812 0.86 F2 (0.63) F2F10F7F3PLG
SCHEMBL7663228 0.86 F2 (0.71) F2F10F7F3PLG
SCHEMBL7663108 0.85 F10 (0.64) F2F10F7F3PLG
SCHEMBL7655682 0.85 F7 (0.54) F2F10F7F3PLG
SCHEMBL7655166 0.85 F10 (0.59) F2F10F7F3PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358960-B1 FOR THERAPY OF INTRAVASCULAR COAGULATION, CORONARY THROMBOSIS, CEREBRAL INFARCTION, CEREBRAL EMBOLISM, TRANSIENT ISCHEMIC ATTACK, CEREBROVASCULAR DISORDERS, PULMONARY VASCULAR DISEASES, DEEP VENOUS THROMBOSIS, ETC. ONO PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP disclosed