SCHEMBL22700654

SCHEMBL22700654

C1=CC(c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)n2)=CCC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
LIMK1 P53667 3/20 0.32
PRKDC P78527 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
SCHEMBL22700652 0.97 LIMK1 (0.34) ALOX5LIMK1
SCHEMBL26710778 0.93 ALOX5 (0.40) ALOX5LIMK1PRKDC
SCHEMBL22700561 0.89 MEN1 (0.36) ALOX5LIMK1
SCHEMBL25684661 0.88 ALOX5 (0.35) ALOX5LIMK1PRKDC
SCHEMBL27427184 0.88 ALOX5 (0.44) ALOX5LIMK1PRKDC
SCHEMBL21319082 0.88 ALOX5 (0.43) ALOX5LIMK1PRKDC
SCHEMBL22700762 0.87 ALOX5 (0.37) ALOX5LIMK1PRKDC
SCHEMBL24363626 0.87 ALOX5 (0.37) ALOX5LIMK1PRKDC
SCHEMBL22700531 0.87 LIMK1 (0.31) ALOX5LIMK1
SCHEMBL22329392 0.85 ALOX5 (0.46) ALOX5LIMK1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020235976-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed