SCHEMBL25586255

SCHEMBL25586255

OB(O)c1cccc2c1sc1c(-c3cccc4c3oc3ccccc34)cccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.48
▸ PRKDC P78527 7/20 0.40
▸ PIK3CD O00329 3/20 0.39
▸ PIK3CB P42338 3/20 0.39
▸ HDAC8 Q9BY41 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ BRDT Q58F21 1/20 0.36
▸ GGPS1 O95749 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PARP14 Q460N5 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ PGR P06401 1/20 0.33

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
SCHEMBL21659069 0.87 ALOX5 (0.55) ALOX5PRKDCPIK3CDPIK3CBHDAC8
SCHEMBL29496940 0.84 ALOX5 (0.56) ALOX5PRKDCPIK3CDPIK3CBHDAC8
SCHEMBL21102639 0.84 ALOX5 (0.56) ALOX5PRKDCPIK3CDPIK3CBHDAC8
SCHEMBL21659061 0.83 ALOX5 (0.55) ALOX5PRKDCPIK3CDPIK3CBHDAC8
SCHEMBL23823896 0.83 ALOX5 (0.55) ALOX5PRKDCPIK3CDPIK3CBHDAC8
SCHEMBL19039302 0.82 LIMK1 (0.36) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL22309367 0.80 ALOX5 (0.49) ALOX5PRKDCPIK3CDPIK3CBHDAC8
SCHEMBL23823891 0.79 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL19803007 0.79 PRKDC (0.50) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL26031852 0.79 ALOX5 (0.57) ALOX5PRKDCPIK3CDPIK3CBHDAC8

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-2023099430-A1 TRIPHENYLENE-TRIAZINE-DIBENZOFURAN/DIBENZOTHIOPHENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-08 — — WO disclosed
Send feedback