SCHEMBL20115895

SCHEMBL20115895

Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)cc1-c1ccccc1N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP14 P54578 4/20 0.34
RORC P51449 4/20 0.33
PTGER4 P35408 2/20 0.33
RPS6KB1 P23443 2/20 0.33
GSK3B P49841 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL18083369 0.87 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL19380368 0.85 USP14 (0.36) KDM1AUSP14RORCPTGER4
SCHEMBL22920231 0.80 USP14 (0.36) KDM1AKDM4EMAPTALDH1A1HPGD
SCHEMBL20116769 0.79 RORC (0.36) USP14RORCPTGER4
SCHEMBL22624275 0.78 KDM4E (0.52) KDM4EALDH1A1USP14RORCPTGER4
SCHEMBL20040430 0.78 ALDH1A1 (0.45) KDM1AKDM4EMAPTALDH1A1HSD17B10
SCHEMBL17705062 0.78 PGR (0.44) KDM1AKDM4EMAPTALDH1A1HPGD
SCHEMBL20116770 0.78 USP14 (0.35) KDM4EALDH1A1USP14RORC
SCHEMBL21132045 0.78 KDM4E (0.39) KDM4EALDH1A1HPGDUSP14RORC
SCHEMBL18347414 0.77 KDM4E (0.47) KDM4EUSP14RORCPTGER4ATM

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
EP-3119770-B1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO (JP) 2018-05-02 EP disclosed