SCHEMBL7651995

SCHEMBL7651995

CS(=O)(=O)O.N=C(N)c1ccc(NC(=O)c2ccccc2-c2ccccc2CCC(=O)O)cc1

nearest known ligand 0.55

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 16)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 6/20 0.53
PLAU P00749 5/20 0.55
PLAT P00750 5/20 0.55
F10 P00742 8/20 0.53
PRSS1 P07477 3/20 0.53
PRSS2 P07478 3/20 0.53
PRSS3 P35030 3/20 0.53
F7 P08709 2/20 0.53
F3 P13726 2/20 0.53
PLG P00747 3/20 0.51
KLK1 P06870 6/20 0.50
KLK5 Q9Y337 6/20 0.50
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
BCAT2 O15382 1/20 0.43
HPN P05981 1/20 0.43

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
SCHEMBL7666062 0.95 PLAU (0.61) PLAUPLATF10F2PRSS1
SCHEMBL7659139 0.90 PLAU (0.58) PLAUPLATF10F2PRSS1
SCHEMBL7652005 0.87 PLAU (0.50) PLAUPLATF10F2PRSS1
SCHEMBL7663108 0.84 F10 (0.64) PLAUPLATF10F2PRSS1
SCHEMBL7677631 0.84 PLAU (0.65) PLAUPLATF10F2PRSS1
SCHEMBL7659146 0.81 PLAU (0.53) PLAUPLATF10F2PRSS1
SCHEMBL7658547 0.81 F3 (0.70) F10F2PRSS1PRSS2PRSS3
SCHEMBL7654641 0.80 KLK1 (0.54) PLAUPLATF10F2PRSS1
SCHEMBL7660883 0.80 F2 (0.70) PLAUPLATF10F2PRSS1
SCHEMBL7655295 0.79 PLAU (0.58) PLAUPLATF10F2PRSS1

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