SCHEMBL7651303

SCHEMBL7651303

CS(=O)(=O)O.N=C(N)c1ccc(NCc2cc3ccccc3cc2-c2ccccc2C(=O)O)cc1

nearest known ligand 0.46

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 17)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 10/20 0.46
F10 P00742 9/20 0.46
F7 P08709 7/20 0.46
PRSS1 P07477 5/20 0.46
F3 P13726 4/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
PLAU P00749 6/20 0.42
PLAT P00750 3/20 0.42
PLG P00747 4/20 0.40
MRGPRX1 Q96LB2 2/20 0.40
HIF1A Q16665 1/20 0.40
KLK1 P06870 2/20 0.39
KLK5 Q9Y337 2/20 0.39
PPARG P37231 1/20 0.38
F9 P00740 1/20 0.38
F11 P03951 1/20 0.38

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
SCHEMBL7665961 0.95 F2 (0.47) F2F10F7PRSS1F3
SCHEMBL7651335 0.88 PRSS1 (0.47) F2F10F7PRSS1F3
SCHEMBL7651310 0.87 F2 (0.43) F2F10F7PRSS1F3
SCHEMBL7657660 0.86 CA1 (0.50) F2F10F7PRSS1F3
SCHEMBL7664244 0.85 F7 (0.64) F2F10F7PRSS1F3
SCHEMBL7660909 0.82 HIF1A (0.51) F2F10F7PRSS1F3
SCHEMBL7659263 0.82 CA1 (0.54) F2F10F7PRSS1F3
SCHEMBL7663698 0.81 F2 (0.57) F2F10F7PRSS1F3
SCHEMBL7657477 0.80 F7 (0.68) F2F10F7PRSS1F3
SCHEMBL7663318 0.79 F2 (0.62) F2F10F7PRSS1F3

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