SCHEMBL31898

SCHEMBL31898

C=C(/C=C(\N=C(/N)n1c2ccccc2c2cc(-c3cccc4c3sc3ccccc34)ccc21)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ PRKDC P78527 1/20 0.32
▸ SLC9A1 P19634 1/20 0.31
▸ ASH1L Q9NR48 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
SCHEMBL10042747 0.78 ALOX5 (0.38) ALOX5ASH1L
SCHEMBL31606614 0.72 ALOX5 (0.54) ALOX5PRKDC
SCHEMBL10165692 0.72 ALOX5 (0.54) ALOX5PRKDC
SCHEMBL19570097 0.72 ALOX5 (0.41) ALOX5PRKDCSLC9A1ASH1L
SCHEMBL13830018 0.72 ALOX5 (0.57) ALOX5PRKDC
SCHEMBL26047031 0.71 ALOX5 (0.43) ALOX5PRKDCASH1L
SCHEMBL17661519 0.71 ALOX5 (0.53) ALOX5PRKDC
SCHEMBL18381768 0.71 ALOX5 (0.53) ALOX5PRKDC
SCHEMBL13829525 0.71 ALOX5 (0.56) ALOX5PRKDC
SCHEMBL17248400 0.71 ALOX5 (0.56) ALOX5PRKDC

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-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 — — WO disclosed
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