Sugi Predict

Sugi Predict / Compounds / SCHEMBL10043571

SCHEMBL10043571

SCHEMBL10043571

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.39
▸ PRKDC P78527 1/20 0.32
▸ PARP14 Q460N5 1/20 0.31
▸ S1PR5 Q9H228 3/20 0.31
▸ S1PR4 O95977 2/20 0.31
▸ ALK Q9UM73 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
SCHEMBL17126526 0.97 ALOX5 (0.41) ALOX5PRKDCPARP14S1PR5S1PR4
SCHEMBL17814798 0.95 ALOX5 (0.40) ALOX5PRKDCPARP14S1PR5S1PR4
SCHEMBL9916368 0.94 ALOX5 (0.39) ALOX5PRKDCPARP14S1PR5S1PR4
SCHEMBL9916806 0.94 ALOX5 (0.39) ALOX5PRKDCPARP14S1PR5S1PR4
SCHEMBL17806879 0.94 ALOX5 (0.39) ALOX5PRKDCPARP14ALK
SCHEMBL17126693 0.94 ALOX5 (0.43) ALOX5PRKDCPARP14S1PR5S1PR4
SCHEMBL10043511 0.94 ALOX5 (0.44) ALOX5PRKDCPARP14ALK
SCHEMBL23225281 0.94 ALOX5 (0.39) ALOX5PRKDCPARP14S1PR5S1PR4
SCHEMBL22159439 0.93 ALOX5 (0.38) ALOX5PRKDCPARP14ALK
SCHEMBL17126517 0.93 ALOX5 (0.44) ALOX5PRKDCPARP14ALK

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-2012015265-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD (KR) 2012-02-02 — — WO disclosed