SCHEMBL12287674

SCHEMBL12287674

CCc1ccc(CCCn2c3nc(=O)[nH]c(=O)c-3nc3cc(C)c(C)cc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.60
▸ MEN1 O00255 7/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ USP2 O75604 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ HTT P42858 3/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ RXFP1 Q9HBX9 2/20 0.60
▸ IDO1 P14902 1/20 0.60
▸ HAT1 O14929 4/20 0.53
▸ RBBP7 Q16576 4/20 0.53
▸ RECQL P46063 3/20 0.53
▸ CASP7 P55210 3/20 0.53
▸ CASP1 P29466 2/20 0.53
▸ BRCA1 P38398 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ TST Q16762 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ LMNA P02545 1/20 0.53

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
SCHEMBL12287007 0.93 KMT2A (0.61) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL12287035 0.91 KMT2A (0.61) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL12286957 0.91 MEN1 (0.59) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL12286921 0.91 KMT2A (0.59) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL12287179 0.90 MEN1 (0.61) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL12286998 0.90 MEN1 (0.58) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL12958549 0.89 MEN1 (0.60) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL12287093 0.89 MEN1 (0.59) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL14667969 0.89 MEN1 (0.52) KMT2AMEN1KDM4EUSP2MAPT
SCHEMBL12287526 0.89 MEN1 (0.52) KMT2AMEN1KDM4EUSP2MAPT

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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