SCHEMBL21771995

SCHEMBL21771995

Brc1ccc(-c2cccc3c4c(sc23)CCC=C4)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.32
ALOX5 P09917 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
SCHEMBL4554458 0.87 LIMK1 (0.42) LIMK1ALOX5
SCHEMBL21860619 0.84 CYP1B1 (0.34) LIMK1ALOX5
SCHEMBL20197607 0.80 PSMB8 (0.30)
SCHEMBL17779843 0.80 ALOX5 (0.35) LIMK1ALOX5
SCHEMBL19157426 0.79 ALOX5 (0.43) LIMK1ALOX5
SCHEMBL21687081 0.79 LIMK1 (0.35) LIMK1
SCHEMBL15212967 0.79 ALOX5 (0.32) LIMK1ALOX5
SCHEMBL10116986 0.78 KDM4E (0.34) LIMK1
SCHEMBL12328781 0.76 MGLL (0.37) ALOX5
SCHEMBL19444992 0.76 ALOX5 (0.40) 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
EP-3263555-B1 HETERO RING COMPOUND AND ORGANIC LUMINESCENT ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-26 EP disclosed