SCHEMBL7660396

SCHEMBL7660396

CS(=O)(=O)O.N=C(N)c1ccc(NC(=O)c2ccccc2-c2cc3c(O)cccc3cc2C(=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 13)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 10/20 0.55
F10 P00742 12/20 0.55
F7 P08709 4/20 0.55
F3 P13726 4/20 0.55
PRSS1 P07477 3/20 0.55
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55
PLAU P00749 7/20 0.54
PLAT P00750 7/20 0.54
PLG P00747 5/20 0.54
KLK1 P06870 5/20 0.50
KLK5 Q9Y337 5/20 0.50
NQO2 P16083 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
SCHEMBL7663291 0.96 F10 (0.55) F10F2F7F3PRSS1
SCHEMBL7658147 0.96 F10 (0.54) F10F2F7F3PRSS1
SCHEMBL7659199 0.95 F10 (0.59) F10F2F7F3PRSS1
SCHEMBL7657630 0.93 F10 (0.54) F10F2F7F3PRSS1
SCHEMBL7660705 0.91 F10 (0.59) F10F2F7F3PRSS1
SCHEMBL7656707 0.91 F2 (0.59) F10F2F7F3PRSS1
SCHEMBL7663318 0.89 F2 (0.62) F10F2F7F3PRSS1
SCHEMBL7661840 0.88 KLK1 (0.55) F10F2F7F3PRSS1
SCHEMBL7656850 0.88 F2 (0.59) F10F2F7F3PRSS1
SCHEMBL7658159 0.86 F10 (0.51) F10F2F7F3PRSS1

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