SCHEMBL22700652

SCHEMBL22700652

C1=CC(c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)ccc34)n2)=CCC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.34
ALOX5 P09917 1/20 0.34
LIMK2 P53671 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
SCHEMBL22700654 0.97 ALOX5 (0.36) LIMK1ALOX5
SCHEMBL26710778 0.94 ALOX5 (0.40) LIMK1ALOX5
SCHEMBL22700531 0.90 LIMK1 (0.31) LIMK1ALOX5
SCHEMBL21319082 0.89 ALOX5 (0.43) LIMK1ALOX5
SCHEMBL22700762 0.89 ALOX5 (0.37) LIMK1ALOX5
SCHEMBL24363626 0.88 ALOX5 (0.37) LIMK1ALOX5
SCHEMBL22329398 0.86 LIMK1 (0.43) LIMK1ALOX5LIMK2
SCHEMBL25645925 0.86 LIMK1 (0.43) LIMK1ALOX5LIMK2
SCHEMBL22330168 0.86 LIMK1 (0.43) LIMK1ALOX5LIMK2
SCHEMBL22700561 0.86 MEN1 (0.36) LIMK1ALOX5

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