SCHEMBL17573970

SCHEMBL17573970

C1=CC(c2cccc(-c3ccc(Nc4ccccc4)c(C4=CCCC(c5cccc6c5sc5ccccc56)=C4)c3)c2)=CCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.33
▸ PARP14 Q460N5 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
SCHEMBL23891369 0.78 MAP3K8 (0.30) —
SCHEMBL29319333 0.77 ALOX5 (0.49) ALOX5PARP14
SCHEMBL21226547 0.75 ALOX5 (0.46) ALOX5PARP14
SCHEMBL20243813 0.73 PARP14 (0.44) ALOX5PARP14
SCHEMBL10071933 0.73 ALOX5 (0.41) ALOX5PARP14
SCHEMBL17468618 0.72 — —
SCHEMBL17660865 0.71 ALOX5 (0.52) ALOX5PARP14
SCHEMBL24180401 0.71 ALOX5 (0.39) ALOX5PARP14
SCHEMBL17759581 0.70 ALOX5 (0.44) ALOX5PARP14
SCHEMBL17012663 0.70 SIRT2 (0.39) —

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-2016036171-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-03-10 — — WO disclosed
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