SCHEMBL19964671

SCHEMBL19964671

Cc1c(C(=O)O)cc2c(C)ccn2c1C(C)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EED O75530 14/20 0.46
RBBP4 Q09028 14/20 0.46
SUZ12 Q15022 14/20 0.46
EZH2 Q15910 14/20 0.46
AEBP2 Q6ZN18 14/20 0.46
ABCC1 P33527 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL21251364 0.89 EED (0.43) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964944 0.89 EED (0.43) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964531 0.86 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL28886541 0.85 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL28886549 0.85 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964960 0.83 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964849 0.82 EED (0.46) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964860 0.82 EED (0.51) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964901 0.82 EED (0.65) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964783 0.81 EED (0.42) 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