SCHEMBL21119630

SCHEMBL21119630

c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccc7c(ccc8sc9ccccc9c87)c6)c6ccccc56)nc4c3n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.32
PARP1 P09874 1/20 0.32
NQO1 P15559 1/20 0.32
NQO2 P16083 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
DUSP3 P51452 1/20 0.31
BLM P54132 1/20 0.31
PTPN5 P54829 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN11 Q06124 1/20 0.31
MCL1 Q07820 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CDK1 P06493 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
ALK Q9UM73 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
SCHEMBL21119608 0.91 F9 (0.36) LIMK1PARP1CDK1MAPKAPK2ALK
SCHEMBL21120142 0.88 CCR1 (0.34) NQO1NQO2MEN1POLBMAPT
SCHEMBL21119626 0.87 CDK1 (0.41) LIMK1PARP1MEN1POLBMAPT
SCHEMBL21119620 0.86 F9 (0.33) LIMK1PARP1MAPTCDK1MAPKAPK2
SCHEMBL21119799 0.85 F9 (0.38) LIMK1PARP1MAPTCDK1MAPKAPK2
SCHEMBL21119604 0.85 LIMK1 (0.34) LIMK1PARP1MAPTALK
SCHEMBL21119959 0.83 CDK1 (0.43) LIMK1PARP1MEN1MAPTBLM
SCHEMBL21119895 0.83 S1PR5 (0.33) PARP1MAPT
SCHEMBL21119633 0.82 PARP1 (0.32) PARP1MEN1POLBMAPTDUSP3
SCHEMBL15582078 0.81 LIMK1 (0.39) LIMK1PARP1MAPTMCL1CDK1

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