SCHEMBL9375666

SCHEMBL9375666

CC1(C)C(=O)Nc2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.59
RAB9A P51151 14/20 0.59
PKM P14618 6/20 0.59
KLF5 Q13887 2/20 0.59
OPRK1 P41145 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.58
TP53 P04637 2/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAOB P27338 1/20 0.57
ADORA2A P29274 1/20 0.57
SCD O00767 1/20 0.56
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 1/20 0.56
RPS6KA2 Q15349 1/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL9963858 0.78 RAB9A (0.76) NPC1RAB9APKMKLF5OPRK1
SCHEMBL11703736 0.78 NPC1 (0.91) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9374793 0.78 CYP26A1 (0.53) MEN1KMT2APOLB
SCHEMBL9376520 0.77 TOP1 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11703862 0.77 NPC1 (0.83) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9377709 0.77 HTT (0.50) NPC1RAB9AOPRK1SMN1; SMN2MEN1
SCHEMBL2957526 0.77 NPC1 (0.68) NPC1RAB9APKMKLF5OPRK1
SCHEMBL11705464 0.76 RAB9A (0.72) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9834995 0.76 PDE4A (0.55) NPC1RAB9APKMKLF5OPRK1
SCHEMBL10558334 0.76 RAB9A (0.58) NPC1RAB9APKMKLF5SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344634-B1 Bicyclic carboxamides, process for their preparation and medicaments containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
US-5019587-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1991-05-28 US disclosed
CN-1038640-A Two ring carboxamide, its preparation methods and contain the pharmaceutical composition of this material BOEHRINGER MANNHEIM GMBH (DE) 1990-01-10 CN disclosed
EP-0344634-A1 Bicyclic carboxamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1989-12-06 EP disclosed