SCHEMBL7663252

SCHEMBL7663252

COc1ccc(-c2ccccc2C(=O)NOCc2ccccc2)c(C(=O)Nc2ccc(C(=N)N)cc2)c1.CS(=O)(=O)O

nearest known ligand 0.56

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 11/20 0.56
F10 P00742 11/20 0.56
F7 P08709 8/20 0.56
F3 P13726 8/20 0.56
PLG P00747 4/20 0.56
PLAU P00749 5/20 0.54
PLAT P00750 5/20 0.54
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KLK1 P06870 2/20 0.47
KLK5 Q9Y337 2/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
PPARD Q03181 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7661124 0.90 F2 (0.57) F2F10F7F3PLG
SCHEMBL7665817 0.87 F10 (0.65) F2F10F7F3PLG
SCHEMBL7652087 0.87 F2 (0.65) F2F10F7F3PLG
SCHEMBL7674717 0.87 F2 (0.59) F2F10F7F3PLG
SCHEMBL7661609 0.86 F10 (0.61) F2F10F7F3PLG
SCHEMBL7659372 0.86 PLAU (0.61) F2F10F7F3PLG
SCHEMBL7661613 0.86 F10 (0.60) F2F10F7F3PLG
SCHEMBL7656226 0.86 F2 (0.55) F2F10F7F3PLG
SCHEMBL7663720 0.85 F7 (0.79) F2F10F7F3PLG
SCHEMBL7653856 0.85 F2 (0.53) F2F10F7F3PLG

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