SCHEMBL7656744

SCHEMBL7656744

CS(=O)(=O)O.N=C(N)c1ccc(NC(=O)c2ccccc2-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.64

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 19)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 8/20 0.56
PLAU P00749 5/20 0.64
PLAT P00750 5/20 0.64
F10 P00742 11/20 0.60
PRSS1 P07477 4/20 0.60
PRSS2 P07478 4/20 0.60
PRSS3 P35030 4/20 0.60
PLG P00747 3/20 0.56
F7 P08709 2/20 0.55
F3 P13726 2/20 0.55
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
KLK1 P06870 4/20 0.52
KLK5 Q9Y337 4/20 0.52
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL7657583 0.94 PLAU (0.71) PLAUPLATF10PRSS1PRSS2
SCHEMBL7663108 0.89 F10 (0.64) PLAUPLATF10PRSS1PRSS2
SCHEMBL7663326 0.89 F10 (0.67) PLAUPLATF10PRSS1PRSS2
SCHEMBL7660883 0.86 F2 (0.70) PLAUPLATF10PRSS1PRSS2
SCHEMBL7656758 0.85 PLAU (0.57) PLAUPLATF10PRSS1PRSS2
SCHEMBL7660727 0.84 F2 (0.64) PLAUPLATF10PRSS1PRSS2
SCHEMBL7656014 0.83 F10 (0.61) PLAUPLATF10PRSS1PRSS2
SCHEMBL7655818 0.83 PLAU (0.61) PLAUPLATF10PRSS1PRSS2
SCHEMBL7654711 0.83 F10 (0.62) PLAUPLATF10PRSS1PRSS2
SCHEMBL7661930 0.82 CYP3A4 (0.69) PLAUPLATF10PRSS1PRSS2

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 1 patent. 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