SCHEMBL25405653

SCHEMBL25405653

CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4sc4ccccc45)c3)cc21.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
PDK2 Q15119 4/20 0.33
PRKDC P78527 1/20 0.33
PARP14 Q460N5 1/20 0.33
MAPT P10636 1/20 0.32
LIMK1 P53667 1/20 0.31
PIM3 Q86V86 2/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
F9 P00740 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
ROCK1 Q13464 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
SCHEMBL17425569 0.99 ALOX5 (0.42) ALOX5PDK2PRKDCPARP14MAPT
SCHEMBL15501966 0.99 ALOX5 (0.42) ALOX5PDK2PRKDCPARP14MAPT
SCHEMBL30103496 0.99 ALOX5 (0.42) ALOX5PDK2PRKDCPARP14MAPT
SCHEMBL30022890 0.98 ALOX5 (0.41) ALOX5PDK2PRKDCPARP14MAPT
SCHEMBL17425494 0.98 ALOX5 (0.41) ALOX5PDK2PRKDCPARP14MAPT
SCHEMBL17425540 0.98 ALOX5 (0.41) ALOX5PDK2PRKDCPARP14MAPT
SCHEMBL18904414 0.97 ALOX5 (0.43) ALOX5PDK2PRKDCPARP14MAPT
SCHEMBL15501987 0.96 ALOX5 (0.43) ALOX5PDK2PRKDCPARP14MAPT
SCHEMBL15501922 0.94 ALOX5 (0.41) ALOX5PDK2PRKDCPARP14MAPT
SCHEMBL15502079 0.93 ALOX5 (0.41) ALOX5PDK2PRKDCPARP14MAPT

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-2023171544-A1 MIXED POWDER, METHOD FOR MANUFACTURING MIXED POWDER, COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2023-09-14 WO disclosed