SCHEMBL17814788

SCHEMBL17814788

CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PRKDC P78527 2/20 0.35
PARP14 Q460N5 1/20 0.34
PDK2 Q15119 5/20 0.33
F9 P00740 1/20 0.32
ALK Q9UM73 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
SCHEMBL9916370 1.00 ALOX5 (0.44) ALOX5PRKDCPARP14PDK2F9
SCHEMBL17126536 0.98 ALOX5 (0.44) ALOX5PRKDCPARP14PDK2F9
SCHEMBL18015515 0.98 ALOX5 (0.45) ALOX5PRKDCPARP14PDK2F9
SCHEMBL9916375 0.97 ALOX5 (0.44) ALOX5PRKDCPARP14PDK2F9
SCHEMBL9916821 0.96 ALOX5 (0.42) ALOX5PRKDCPARP14PDK2F9
SCHEMBL9916365 0.96 ALOX5 (0.42) ALOX5PRKDCPARP14PDK2F9
SCHEMBL9916765 0.96 ALOX5 (0.42) ALOX5PRKDCPARP14PDK2F9
SCHEMBL17126727 0.96 ALOX5 (0.45) ALOX5PRKDCPARP14PDK2
SCHEMBL10043511 0.96 ALOX5 (0.44) ALOX5PRKDCPARP14PDK2F9
SCHEMBL25813710 0.95 ALOX5 (0.41) ALOX5PRKDCPARP14PDK2F9

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-2016089162-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-06-09 WO disclosed