SCHEMBL11560427

SCHEMBL11560427

CCOC(=O)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 3/20 0.55
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 3/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.44
GPR35 Q9HC97 1/20 0.43
HPGD P15428 1/20 0.43
KYAT1 Q16773 1/20 0.43

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
SCHEMBL11560418 1.00 CYP19A1 (0.56) CYP19A1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL11565043 0.88 ALDH1A1 (0.55) CYP19A1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL11565038 0.88 ALDH1A1 (0.55) CYP19A1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL1503906 0.84 ALDH1A1 (0.71) CYP19A1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL11559445 0.79 NPC1 (0.55) CYP19A1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL11559448 0.79 NPC1 (0.55) CYP19A1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL10979861 0.78 ALDH1A1 (0.60) CYP19A1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL27972060 0.77 ALDH1A1 (0.55) CYP19A1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL7921628 0.76 MAPT (0.37) CYP19A1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL9416849 0.75 ALDH1A1 (0.56) CYP19A1ALDH1A1GAASMN1; SMN2TDP1

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
US-4147528-A 6-Oxopyrimidine plant growth regulators ROHM AND HAAS COMPANY (US) 1979-04-03 US disclosed