SCHEMBL21119913

SCHEMBL21119913

c1cnc2c(c1)ccc1ccc(-c3cccc4c(-c5ccc6c(ccc7c8ccccc8oc67)c5)cccc34)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
ERN1 O75460 1/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CYP1A1 P04798 3/20 0.37
CYP1B1 Q16678 3/20 0.37
CYP1A2 P05177 3/20 0.37
GRM4 Q14833 1/20 0.36
PRKDC P78527 2/20 0.36
KMT2A Q03164 1/20 0.36
CLK2 P49760 1/20 0.36
HIPK1 Q86Z02 1/20 0.36
DYRK2 Q92630 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
HIPK3 Q9H422 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL21120228 0.97 ALOX5 (0.38) ALOX5ERN1KDM4EMAPTHPGD
SCHEMBL21119987 0.94 ALOX5 (0.39) ALOX5ERN1KDM4EMAPTHPGD
SCHEMBL21119943 0.90 ALOX5 (0.43) ALOX5ERN1KDM4EMAPTHPGD
SCHEMBL15581880 0.89 ALOX5 (0.48) ALOX5ERN1KDM4EMAPTHPGD
SCHEMBL21119577 0.89 CYP1A1 (0.39) ALOX5KDM4EMAPTHPGDHSD17B10
SCHEMBL21119588 0.88 CLK2 (0.38) ALOX5ERN1KDM4EMAPTHPGD
SCHEMBL15394204 0.88 ALOX5 (0.38) ALOX5KDM4EMAPTHPGDHSD17B10
SCHEMBL25766676 0.87 ALOX5 (0.45) ALOX5KDM4EMAPTHPGDHSD17B10
SCHEMBL21119586 0.87 CYP1A1 (0.37) ALOX5KDM4EMAPTHPGDHSD17B10
SCHEMBL21119853 0.86 ALOX5 (0.39) ALOX5KDM4EMAPTHPGDHSD17B10

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-11522139-B2 Organic light emitting diode LG DISPLAY CO., LTD. (KR) 2022-12-06 US disclosed
US-20190207123-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2019-07-04 US disclosed