SCHEMBL8639573

SCHEMBL8639573

COc1cccc(CC(=O)Nc2ccccc2C(N)=O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
NPC1 O15118 3/20 0.70
TP53 P04637 2/20 0.70
KDM4E B2RXH2 1/20 0.70
RECQL P46063 1/20 0.70
MAPK10 P53779 1/20 0.70
POLB P06746 1/20 0.70
MAPK8 P45983 2/20 0.69
KCNQ2 O43526 1/20 0.63
GAA P10253 1/20 0.63
USP2 O75604 1/20 0.59
PARP14 Q460N5 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
PKM P14618 1/20 0.54
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 2/20 0.53

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
SCHEMBL8638900 0.90 MAPK8 (0.65) RAB9ASMN1; SMN2NPC1TP53KDM4E
SCHEMBL8639160 0.88 NPC1 (0.60) RAB9ASMN1; SMN2NPC1TP53KDM4E
SCHEMBL28642513 0.84 RAB9A (0.65) RAB9ASMN1; SMN2NPC1TP53KDM4E
SCHEMBL30311719 0.84 RAB9A (0.65) RAB9ASMN1; SMN2NPC1TP53KDM4E
SCHEMBL7850198 0.84 POLB (0.73) POLBKCNQ2GAAUSP2PARP14
SCHEMBL8637152 0.83 GAA (0.64) RAB9ASMN1; SMN2KDM4EPOLBGAA
SCHEMBL19061903 0.83 POLB (0.71) RAB9ASMN1; SMN2RECQLPOLBMAPK8
SCHEMBL31239012 0.82 NPC1 (1.00) RAB9ASMN1; SMN2NPC1TP53KDM4E
SCHEMBL26101550 0.81 POLB (0.58) RAB9ASMN1; SMN2POLBMAPK8KCNQ2
SCHEMBL30493689 0.81 POLB (0.58) RAB9ASMN1; SMN2POLBMAPK8KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855387-A1 2-ACYLAMINOBENZAMIDE DERIVATIVES AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY THE SUPERMULTIPLICATION OF VASCULAR INTIMAL CELLS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed