SCHEMBL19964978

SCHEMBL19964978

C=C(c1c(C)c(C(=O)OC(C)CN2CCNCC2)cc2c(-c3ncnn3C)ccn12)N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 2/20 0.37
EED O75530 1/20 0.37
RBBP4 Q09028 1/20 0.37
SUZ12 Q15022 1/20 0.37
AEBP2 Q6ZN18 1/20 0.37
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL28886533 0.91 EZH2 (0.37) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21113188 0.84 EZH2 (0.35) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21113160 0.75 EZH2 (0.38) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21156606 0.74 EZH2 (0.34) EZH2
SCHEMBL29986791 0.74 EZH2 (0.34) EZH2
SCHEMBL19964713 0.74 EZH2 (0.42) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL29986588 0.74 EZH2 (0.42) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21113102 0.73 EZH2 (0.31) EZH2ALDH1A1KDM4E
SCHEMBL21251323 0.71 EZH2 (0.37) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21113108 0.70 EZH2 (0.43) 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