SCHEMBL21119604

SCHEMBL21119604

c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccc7c(ccc8c9ccccc9sc78)c6)c6ccccc56)nc4c3n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 4/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
TNKS O95271 2/20 0.34
TNKS2 Q9H2K2 2/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.33
PARP1 P09874 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALK Q9UM73 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CYP1A2 P05177 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
SCHEMBL21119688 0.90 LIMK1 (0.40) LIMK1CYP1A1CYP1B1TNKSTNKS2
SCHEMBL21119576 0.88 CCR1 (0.35) LIMK1CYP1A1CYP1B1ALOX5MAPT
SCHEMBL21119865 0.87 LIMK1 (0.36) LIMK1CYP1A1CYP1B1TNKSTNKS2
SCHEMBL21119854 0.86 ALOX5 (0.39) LIMK1CYP1A1CYP1B1TNKSTNKS2
SCHEMBL21119944 0.85 ALOX5 (0.43) LIMK1CYP1A1CYP1B1TNKSTNKS2
SCHEMBL21119630 0.85 LIMK1 (0.32) LIMK1MAPTPARP1ALK
SCHEMBL21119815 0.83 LIMK1 (0.39) LIMK1TNKSTNKS2ALOX5MAPT
SCHEMBL21119598 0.82 ALOX5 (0.39) LIMK1CYP1A1CYP1B1TNKSTNKS2
SCHEMBL21120148 0.82 LIMK1 (0.33) LIMK1TNKSTNKS2ALOX5MAPT
SCHEMBL20042384 0.81 ALOX5 (0.50) LIMK1TNKSTNKS2ALOX5MAPT

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