SCHEMBL21867484

SCHEMBL21867484

c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccc(N4c5ccccc5Oc5ccccc54)cc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
GAA P10253 1/20 0.33
CES1 P23141 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PGR P06401 1/20 0.32
P2RX4 Q99571 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL14823502 0.87 MAPT (0.35) NPSR1P2RX4CYP2C19
SCHEMBL21868270 0.86 MAPT (0.35) ALDH1A1NPSR1P2RX4CYP3A4CYP2C19
SCHEMBL16076352 0.85 CDK8 (0.31) CDK8
SCHEMBL807996 0.84 PDK2 (0.35) NPSR1P2RX4CYP2C19
SCHEMBL21867888 0.84 PDK2 (0.36) ALDH1A1ADAMTS5
SCHEMBL2754774 0.82 GAA (0.44) ALDH1A1CES2BCHEGAACES1
SCHEMBL29776217 0.82 GAA (0.44) ALDH1A1CES2BCHEGAACES1
SCHEMBL21868060 0.81 MEN1 (0.34) ALDH1A1NPSR1PGRP2RX4CYP3A4
SCHEMBL21868299 0.81 MEN1 (0.34) ALDH1A1NPSR1PGRP2RX4CYP3A4
SCHEMBL21911529 0.81 ALDH1A1 (0.39) ALDH1A1CES2BCHEGAACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-20220123218-A1 ORGANIC ELECTROLUMINESCENT DEVICE LG CHEM, LTD. (KR) 2022-04-21 US disclosed
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 WO disclosed