SCHEMBL7651308

SCHEMBL7651308

COc1cccc(C(=O)O)c1-c1ccccc1C(=O)Nc1ccc(C(=N)N)cc1.CS(=O)(=O)O

nearest known ligand 0.62

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 20)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 5/20 0.52
KLK1 P06870 5/20 0.62
KLK5 Q9Y337 5/20 0.62
PLAU P00749 5/20 0.56
PLAT P00750 5/20 0.56
F10 P00742 7/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
PLG P00747 2/20 0.49
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL7658289 0.96 KLK1 (0.62) KLK1KLK5PLAUPLATF10
SCHEMBL7658651 0.96 KLK1 (0.67) KLK1KLK5PLAUPLATF10
SCHEMBL7656965 0.92 KLK1 (0.67) KLK1KLK5PLAUPLATF10
SCHEMBL7659237 0.89 KLK1 (0.63) KLK1KLK5PLAUPLATF10
SCHEMBL7651318 0.88 KLK1 (0.60) KLK1KLK5PLAUPLATF10
SCHEMBL7655818 0.88 PLAU (0.61) KLK1KLK5PLAUPLATF10
SCHEMBL7662405 0.87 KLK1 (0.60) KLK1KLK5PLAUPLATF10
SCHEMBL7658301 0.86 KLK1 (0.60) KLK1KLK5PLAUPLATF10
SCHEMBL7663108 0.85 F10 (0.64) KLK1KLK5PLAUPLATF10
SCHEMBL7656788 0.84 KLK1 (0.68) KLK1KLK5PLAUPLATF10

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