SCHEMBL8637121

SCHEMBL8637121

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.69
KMT2A Q03164 7/20 0.69
NPC1 O15118 7/20 0.69
RAB9A P51151 7/20 0.69
SMN1; SMN2 Q16637 7/20 0.69
CYP3A4 P08684 3/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C19 P33261 2/20 0.69
KDM4E B2RXH2 4/20 0.62
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.62
MMP1 P03956 5/20 0.60
MMP2 P08253 5/20 0.60
MMP9 P14780 5/20 0.60
TRPA1 O75762 1/20 0.60
MAPT P10636 1/20 0.60
ALDH1A1 P00352 5/20 0.60
HPGD P15428 4/20 0.60
TP53 P04637 3/20 0.60
HIF1A Q16665 2/20 0.60

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
SCHEMBL8637112 1.00 MEN1 (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8637284 0.90 MEN1 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8637280 0.90 MEN1 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2848727 0.89 TRPA1 (0.76) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2848732 0.89 TRPA1 (0.76) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8637332 0.88 SMN1; SMN2 (0.66) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8637338 0.88 SMN1; SMN2 (0.66) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL16215143 0.88 MMP1 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8638570 0.87 SMN1; SMN2 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8638566 0.87 SMN1; SMN2 (0.65) MEN1KMT2ANPC1RAB9ASMN1; 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 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