SCHEMBL12286952

SCHEMBL12286952

CCc1ccc(CCCn2c3nc(=O)[nH]c(=O)c-3nc3cc(C(C)C)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAT1 O14929 4/20 0.47
▸ RBBP7 Q16576 4/20 0.47
▸ KAT7 O95251 1/20 0.47
▸ EP300 Q09472 1/20 0.47
▸ CREBBP Q92793 1/20 0.47
▸ TDP2 O95551 3/20 0.44
▸ MEN1 O00255 10/20 0.43
▸ KMT2A Q03164 10/20 0.43
▸ USP2 O75604 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ CASP7 P55210 3/20 0.40
▸ RECQL P46063 3/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ BRCA1 P38398 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40

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
SCHEMBL12286869 0.93 MEN1 (0.44) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12287038 0.91 HAT1 (0.46) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12287281 0.91 MEN1 (0.43) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12287271 0.88 HAT1 (0.48) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL14667958 0.87 HAT1 (0.43) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL14668016 0.86 MEN1 (0.46) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL14667990 0.85 MEN1 (0.44) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12286969 0.85 CASP7 (0.46) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12287409 0.85 HAT1 (0.42) HAT1RBBP7KAT7EP300CREBBP
SCHEMBL12287674 0.85 KMT2A (0.60) 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
Send feedback