SCHEMBL8637280

SCHEMBL8637280

COc1cc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.65
KMT2A Q03164 8/20 0.65
SMN1; SMN2 Q16637 8/20 0.65
NPC1 O15118 8/20 0.65
RAB9A P51151 8/20 0.65
KDM4E B2RXH2 7/20 0.65
LMNA P02545 2/20 0.65
POLB P06746 2/20 0.65
TRPA1 O75762 1/20 0.62
MAPT P10636 1/20 0.62
ALDH1A1 P00352 7/20 0.62
HPGD P15428 7/20 0.62
NPSR1 Q6W5P4 3/20 0.62
CYP3A4 P08684 4/20 0.61
CYP1A2 P05177 3/20 0.61
CYP2C19 P33261 2/20 0.61
TNIK Q9UKE5 1/20 0.61
TP53 P04637 4/20 0.59
HIF1A Q16665 2/20 0.59
CYP2C9 P11712 2/20 0.59

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
SCHEMBL8637284 1.00 MEN1 (0.65) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8637121 0.90 MEN1 (0.69) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8637112 0.90 MEN1 (0.69) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8640680 0.89 NPC1 (0.79) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8640672 0.89 NPC1 (0.79) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8638537 0.85 ALDH1A1 (0.66) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8635335 0.85 ALDH1A1 (0.80) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8643419 0.85 MEN1 (0.59) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8638547 0.85 ALDH1A1 (0.66) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8635343 0.85 ALDH1A1 (0.80) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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