SCHEMBL19964894

SCHEMBL19964894

Cc1c(C(=O)OC(C)C)cc2c(C)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EED O75530 17/20 0.47
RBBP4 Q09028 17/20 0.47
SUZ12 Q15022 17/20 0.47
EZH2 Q15910 17/20 0.47
AEBP2 Q6ZN18 17/20 0.47
METAP2 P50579 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL19964461 0.91 EED (0.46) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964798 0.87 EED (0.52) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21157382 0.86 EED (0.64) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113127 0.85 EED (0.51) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964895 0.85 EED (0.64) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113439 0.85 EED (0.50) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21156604 0.85 EED (0.52) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964971 0.85 EED (0.64) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964987 0.85 EED (0.56) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964889 0.85 EED (0.52) EEDRBBP4SUZ12EZH2AEBP2

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