SCHEMBL8640449

SCHEMBL8640449

COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCCCc2ccccc2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
KDM4E B2RXH2 4/20 0.74
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
PKM P14618 3/20 0.68
TP53 P04637 2/20 0.68
CYP3A4 P08684 2/20 0.68
HPGD P15428 2/20 0.68
HIF1A Q16665 2/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
HSD17B10 Q99714 1/20 0.68
ABCC4 O15439 1/20 0.68
HPGDS O60760 1/20 0.68
ABCB11 O95342 1/20 0.68
ALOX12 P18054 1/20 0.68

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
SCHEMBL8640454 1.00 ALDH1A1 (0.74) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL8639771 0.89 ALDH1A1 (0.69) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL8639765 0.89 ALDH1A1 (0.69) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL8636604 0.89 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL8636611 0.89 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL8636702 0.87 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL8636695 0.87 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL20342058 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL8635699 0.85 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL8635693 0.85 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1KMT2APKM

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