SCHEMBL7656966

SCHEMBL7656966

N=C(N)c1ccc(C#Cc2ccccc2-c2ccccc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ASIC3 Q9UHC3 1/20 0.46
FFAR1 O14842 2/20 0.41
PLAU P00749 2/20 0.41
PLAT P00750 2/20 0.41
F10 P00742 5/20 0.40
F2 P00734 5/20 0.40
F7 P08709 4/20 0.40
F3 P13726 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
F11 P03951 1/20 0.40
SLC16A3 O15427 2/20 0.40
F12 P00748 1/20 0.40
PKM P14618 1/20 0.40
HNF4A P41235 1/20 0.39
WDR5 P61964 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL7149446 0.84 NPC1 (0.59) NPC1RAB9AFFAR1HNF4AMYC
SCHEMBL7663102 0.81 FFAR1 (0.43) NPC1RAB9AASIC3FFAR1PLAU
SCHEMBL7655674 0.79 F7 (0.69) F10F2F7F3PRSS1
SCHEMBL27670241 0.76 WDR5 (0.58) PLAUPLATF10F2F7
SCHEMBL5667272 0.76 NPC1 (0.46) NPC1RAB9AFFAR1SLC16A3HNF4A
SCHEMBL18574217 0.75 ASIC3 (0.71) ASIC3PLAUF10F2F7
SCHEMBL27503029 0.75 FFAR1 (0.46) NPC1RAB9AFFAR1SLC16A3HNF4A
SCHEMBL69187 0.75 NPC1 (0.59) NPC1RAB9AFFAR1SLC16A3HNF4A
SCHEMBL30607509 0.74 NPC1 (0.67) NPC1RAB9AFFAR1SLC16A3HNF4A
SCHEMBL29188167 0.74 MYC (0.53) HNF4AMYCKMT2ACYP3A4CYP2C9

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 claimed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP claimed