SCHEMBL20071622

SCHEMBL20071622

Oc1cc(Br)ccc1-c1ccc2ccc3c(c2c1)c1cccc2c4ccccc4n3c21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
TSPO P30536 2/20 0.32
RAD52 P43351 1/20 0.31
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
PTGER4 P35408 1/20 0.31
AR P10275 1/20 0.30
ESR2 Q92731 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
SCHEMBL20071703 0.87 TSPO (0.36) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL20068683 0.83 ESR2 (0.36) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL20071437 0.79 CYP2A6 (0.37) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL20071436 0.76 SLC6A3 (0.42) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL20070698 0.76 GABRP (0.39) MEN1KMT2AALDH1A1AR
SCHEMBL29649844 0.75 TSPO (0.44) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL15453212 0.75 TSPO (0.44) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL19890612 0.75 HSD17B1 (0.42) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL20068464 0.75 ESR2 (0.38) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL23814096 0.75 KDM4E (0.37) MEN1KMT2APOLBKDM4EALDH1A1

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-2018070836-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME AND ELECTRONIC APPARATUS THEREFOR 덕산네오룩스 주식회사 2018-04-19 WO disclosed