SCHEMBL8640458

SCHEMBL8640458

CCOc1c(OC)cc(C=CC(=O)Nc2ccccc2C(N)=O)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
HPGD P15428 6/20 0.69
KDM4E B2RXH2 6/20 0.69
NPSR1 Q6W5P4 3/20 0.66
LMNA P02545 2/20 0.66
GAA P10253 1/20 0.66
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
CYP3A4 P08684 4/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 3/20 0.60
TP53 P04637 2/20 0.60
HIF1A Q16665 2/20 0.60
CYP2C9 P11712 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ABCC4 O15439 1/20 0.60
HPGDS O60760 1/20 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
SCHEMBL8640452 1.00 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8635335 0.90 ALDH1A1 (0.80) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8635343 0.90 ALDH1A1 (0.80) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8635591 0.90 ALDH1A1 (0.64) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8635578 0.90 ALDH1A1 (0.64) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8639760 0.89 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8639755 0.89 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8636709 0.88 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8636716 0.88 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8639725 0.86 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ENPSR1LMNA

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