SCHEMBL19964708

SCHEMBL19964708

CCC(=O)NCc1c(C(F)(F)F)cc(C)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 14/20 0.49
▸ EED O75530 5/20 0.49
▸ RBBP4 Q09028 5/20 0.49
▸ SUZ12 Q15022 5/20 0.49
▸ AEBP2 Q6ZN18 5/20 0.49
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ EZH1 Q92800 1/20 0.44
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ PKM P14618 1/20 0.38

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
SCHEMBL17625019 0.81 EZH2 (0.53) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL30785587 0.81 CACNA1H (0.49) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL18455533 0.79 HPGD (0.53) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21251330 0.77 EZH2 (0.51) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL29473787 0.74 EZH2 (0.45) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL28598403 0.74 EZH2 (0.45) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL16116661 0.74 MAPK14 (0.55) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL1694437 0.73 KDM4E (0.53) EZH2EEDRBBP4SUZ12AEBP2
Hydrochloric Acid SCHEMBL15648703 0.72 KDM4E (0.51) EZH2EEDRBBP4SUZ12AEBP2
Hydrochloric Acid SCHEMBL15709836 0.72 KDM4E (0.51) EZH2EEDRBBP4SUZ12AEBP2

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-2018045971-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发有限公司 2018-03-15 — — WO disclosed
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