SCHEMBL17252518

SCHEMBL17252518

OBc1cccc2oc3c(-c4cccc5c4sc4c(-c6ccccc6)cccc45)cccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.37
▸ ALOX5 P09917 3/20 0.36
▸ CDC14B O60729 2/20 0.34
▸ CDC14A Q9UNH5 2/20 0.34
▸ PRKDC P78527 5/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ GGPS1 O95749 1/20 0.32
▸ MCL1 Q07820 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALPI P09923 1/20 0.31
▸ GAA P10253 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
SCHEMBL21658807 0.83 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL22309367 0.83 ALOX5 (0.49) LIMK1ALOX5CDC14BCDC14APRKDC
SCHEMBL21658806 0.82 ALOX5 (0.47) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL17252716 0.82 LIMK1 (0.39) LIMK1ALOX5CDC14BCDC14APRKDC
SCHEMBL17252514 0.82 LIMK1 (0.39) LIMK1ALOX5CDC14BCDC14APRKDC
SCHEMBL19039302 0.81 LIMK1 (0.36) LIMK1ALOX5CDC14BCDC14APRKDC
SCHEMBL22310186 0.81 ALOX5 (0.47) ALOX5CDC14BCDC14APRKDCPIK3CD
SCHEMBL25458968 0.77 LIMK1 (0.38) LIMK1ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL19039314 0.76 LIMK1 (0.37) LIMK1ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL25584930 0.76 LIMK1 (0.37) LIMK1ALOX5CDC14BCDC14APRKDC

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-2015169412-A1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES MERCK PATENT GMBH (DE) 2015-11-12 — — WO disclosed
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