SCHEMBL8639802

SCHEMBL8639802

COc1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
HCAR2 Q8TDS4 4/20 0.65
HDAC1 Q13547 1/20 0.65
KDM4E B2RXH2 2/20 0.64
MEN1 O00255 1/20 0.62
PKM P14618 1/20 0.62
KMT2A Q03164 1/20 0.62
RAB9A P51151 4/20 0.60
ALDH1A1 P00352 4/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
NPC1 O15118 3/20 0.57
TP53 P04637 1/20 0.57
RECQL P46063 1/20 0.57
MAPK10 P53779 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.53
ABCG2 Q9UNQ0 1/20 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
SCHEMBL27549736 0.90 HCAR2 (0.80) GAAHCAR2HDAC1KDM4ERAB9A
SCHEMBL14340800 0.86 HCAR2 (0.81) GAAHCAR2KDM4E
SCHEMBL8637193 0.85 KMT2A (0.60) GAAHCAR2HDAC1KDM4EMEN1
SCHEMBL13676190 0.82 ALDH1A1 (0.58) GAAHCAR2KDM4ERAB9AALDH1A1
SCHEMBL31239117 0.81 RAB9A (0.80) GAAHCAR2KDM4EMEN1PKM
SCHEMBL8641094 0.81 KMT2A (0.57) GAAHCAR2KDM4EMEN1KMT2A
SCHEMBL12725545 0.81 MEN1 (0.60) HCAR2HDAC1KDM4EMEN1PKM
SCHEMBL14349717 0.79 HCAR2 (1.00) HCAR2KDM4EMEN1KMT2ARAB9A
SCHEMBL8605379 0.79 RAB9A (0.72) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL30522452 0.79 KDM4E (0.74) GAAHCAR2HDAC1KDM4EKMT2A

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