SCHEMBL16561335

SCHEMBL16561335

C=C(C)C(=O)NCCc1cccc2c1C(=O)NC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ GAA P10253 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CASP3 P42574 7/20 0.43
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MTNR1A P48039 6/20 0.36
▸ MTNR1B P49286 4/20 0.36
▸ CASP2 P42575 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ CASP8 Q14790 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4619903 0.78 KDM4E (0.44) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL5970012 0.76 GSK3B (0.50) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL31474424 0.75 ALDH1A1 (0.49) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1424202 0.74 KDM4E (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL6470239 0.74 GSK3B (0.43) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1892075 0.74 KDM4E (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2141218 0.73 PTGER1 (0.49) KDM4EALDH1A1GAAHPGDHSD17B10
Bicarbonate SCHEMBL29212760 0.72 KDM4E (0.46) KDM4EALDH1A1GAAHPGDHSD17B10
Water SCHEMBL10733874 0.72 KDM4E (0.44) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL11206986 0.72 GSK3B (0.45) KDM4EALDH1A1GAAHPGDHSD17B10

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-8978554-B2 Alkali soluble resin AGFA GRAPHICS N.V. (BE) 2015-03-17 — — US disclosed
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