SCHEMBL8640672

SCHEMBL8640672

COc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.79
RAB9A P51151 8/20 0.79
MEN1 O00255 7/20 0.79
KMT2A Q03164 7/20 0.79
SMN1; SMN2 Q16637 6/20 0.79
TRPA1 O75762 1/20 0.79
MAPT P10636 1/20 0.79
KDM4E B2RXH2 3/20 0.74
POLB P06746 2/20 0.74
LMNA P02545 1/20 0.74
ALDH1A1 P00352 3/20 0.70
HPGD P15428 3/20 0.70
NPSR1 Q6W5P4 2/20 0.70
TNIK Q9UKE5 1/20 0.70
CYP3A4 P08684 4/20 0.68
CYP1A2 P05177 3/20 0.68
CYP2C9 P11712 2/20 0.68
GAA P10253 1/20 0.68
HDAC1 Q13547 5/20 0.64
PKM P14618 2/20 0.61

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
SCHEMBL8640680 1.00 NPC1 (0.79) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8637284 0.89 MEN1 (0.65) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8637280 0.89 MEN1 (0.65) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2849668 0.88 TRPA1 (1.00) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2849664 0.88 TRPA1 (1.00) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16215175 0.88 NPC1 (0.76) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8637121 0.86 MEN1 (0.69) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8637112 0.86 MEN1 (0.69) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8635549 0.86 KMT2A (0.70) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8635541 0.86 KMT2A (0.70) NPC1RAB9AMEN1KMT2ASMN1; 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