SCHEMBL12286940

SCHEMBL12286940

CCC(C)c1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3ccc(Cl)cc3)c2cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAT1 O14929 4/20 0.48
▸ RBBP7 Q16576 4/20 0.48
▸ KAT7 O95251 1/20 0.48
▸ EP300 Q09472 1/20 0.48
▸ CREBBP Q92793 1/20 0.48
▸ MEN1 O00255 9/20 0.47
▸ KMT2A Q03164 9/20 0.47
▸ USP2 O75604 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ CASP7 P55210 3/20 0.44
▸ RECQL P46063 3/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ BRCA1 P38398 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TST Q16762 2/20 0.44

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
SCHEMBL12287424 0.92 MEN1 (0.49) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12286957 0.89 MEN1 (0.59) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12286969 0.88 CASP7 (0.46) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12287048 0.87 HAT1 (0.51) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12287092 0.86 MEN1 (0.58) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12286867 0.85 MEN1 (0.48) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12287145 0.85 HAT1 (0.49) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12287049 0.85 HAT1 (0.53) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL14658429 0.85 MEN1 (0.52) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12287034 0.85 HAT1 (0.53) HAT1RBBP7KAT7EP300CREBBP

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
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 — — WO disclosed
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