SCHEMBL16627807

SCHEMBL16627807

O=c1[nH]c2ccccc2cc1NCCc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
APP P05067 1/20 0.46
IL4I1 Q96RQ9 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
POLB P06746 1/20 0.44
RPS6KA3 P51812 1/20 0.44
RPS6KA2 Q15349 1/20 0.44
RPS6KA1 Q15418 1/20 0.44
PKM P14618 2/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL16627735 0.78 MEN1 (0.47) MEN1KMT2AKDM4ETAAR1IL4I1
SCHEMBL16627809 0.77 BRD4 (0.51) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL4780633 0.74 AURKA (0.49) MEN1KMT2AKDM4EMAPTTAAR1
SCHEMBL16627856 0.74 BRD4 (0.54) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL16627733 0.74 MAPT (0.45) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7591960 0.74 MMP2 (0.50) KDM4EMAPTGPR84ALDH1A1GAA
SCHEMBL16627873 0.73 IDH1 (0.46) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL16627872 0.73 CNR1 (0.52) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL16627871 0.73 KDM4E (0.47) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL13664577 0.73 TAAR1 (0.62) MEN1KMT2AKDM4EMAPTTAAR1

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-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed