SCHEMBL7651335

SCHEMBL7651335

CS(=O)(=O)O.N=C(N)c1ccc(NCc2ccccc2-c2ccccc2C(=O)O)cc1

nearest known ligand 0.47

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 6/20 0.47
PRSS1 P07477 7/20 0.47
F10 P00742 4/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
F7 P08709 2/20 0.47
F3 P13726 1/20 0.47
HIF1A Q16665 2/20 0.46
PLAU P00749 3/20 0.46
PLAT P00750 3/20 0.46
MRGPRX1 Q96LB2 1/20 0.41
TMPRSS6 Q8IU80 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
PLG P00747 2/20 0.41
GCG P01275 1/20 0.41
KLK1 P06870 2/20 0.40
KLK5 Q9Y337 2/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL7660909 0.94 HIF1A (0.51) PRSS1F2F10PRSS2PRSS3
SCHEMBL7651303 0.88 F2 (0.46) PRSS1F2F10PRSS2PRSS3
SCHEMBL7657660 0.87 CA1 (0.50) PRSS1F2F10PRSS2PRSS3
SCHEMBL7651340 0.86 F2 (0.44) PRSS1F2F10PRSS2PRSS3
SCHEMBL7653328 0.84 F7 (0.70) PRSS1F2F10PRSS2PRSS3
SCHEMBL7654529 0.84 F7 (0.56) PRSS1F2F10PRSS2PRSS3
SCHEMBL7659263 0.82 CA1 (0.54) PRSS1F2F10PRSS2PRSS3
SCHEMBL7665961 0.82 F2 (0.47) PRSS1F2F10PRSS2PRSS3
SCHEMBL7663108 0.81 F10 (0.64) PRSS1F2F10PRSS2PRSS3
SCHEMBL7658757 0.79 F7 (0.59) PRSS1F2F10PRSS2PRSS3

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