SCHEMBL21119692

SCHEMBL21119692

c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7c(ccc8c9ccccc9sc78)n6)c6ccccc56)nc4c3n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.36
TDO2 P48775 1/20 0.36
PARP1 P09874 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ALOX5 P09917 1/20 0.33
CDK1 P06493 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
GAK O14976 1/20 0.33
MAPK1 P28482 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
ACHE P22303 1/20 0.33
GPR3 P46089 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A1 P04798 1/20 0.32

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
SCHEMBL21119860 0.96 ALOX5 (0.38) LIMK1TDO2PARP1MAPTKDM4E
SCHEMBL21120237 0.94 MAPT (0.36) LIMK1TDO2PARP1MAPTKDM4E
SCHEMBL21119815 0.94 LIMK1 (0.39) LIMK1TDO2PARP1MAPTKDM4E
SCHEMBL21119865 0.90 LIMK1 (0.36) LIMK1TDO2PARP1MAPTKDM4E
SCHEMBL21119848 0.88 LMNA (0.41) LIMK1MAPTKDM4EALDH1A1MAPK1
SCHEMBL21119854 0.87 ALOX5 (0.39) LIMK1PARP1MAPTTNKSTNKS2
SCHEMBL21119758 0.87 LMNA (0.40) LIMK1MAPTKDM4EALDH1A1HPGD
SCHEMBL15582068 0.86 ALOX5 (0.42) LIMK1PARP1MAPTTNKSTNKS2
SCHEMBL21119639 0.85 LIMK1 (0.32) LIMK1PARP1MAPTKDM4EALDH1A1
SCHEMBL21119677 0.84 LMNA (0.40) MAPTKDM4EALDH1A1ALOX5NPC1

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