SCHEMBL21132114

SCHEMBL21132114

C=Nc1c(/C=C\C)cccc1-c1ccc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
BACE1 P56817 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 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
SCHEMBL22745529 0.91 L3MBTL1 (0.36) L3MBTL1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL21348369 0.91 L3MBTL1 (0.36) L3MBTL1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL18905239 0.88 KDM4E (0.32) BACE1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL22963769 0.83 TRIM58 (0.33) L3MBTL1MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL21159906 0.82 BACE1 (0.40) ESR1ESR2BACE1CYP11B1CYP11B2
SCHEMBL22963203 0.80 TRIM58 (0.33) MEN1ALDH1A1KMT2ACYP1A2HSD17B10
SCHEMBL22963719 0.80 NT5E (0.32) L3MBTL1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL21159674 0.79 BACE1 (0.39) ESR1ESR2BACE1CYP11B1CYP11B2
SCHEMBL22963484 0.78 L3MBTL1 (0.32) L3MBTL1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL22215535 0.78 CYP1A2 (0.36) MEN1KMT2ACYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11211563-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-12-28 US disclosed
US-20190198766-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-06-27 US disclosed