SCHEMBL25459124

SCHEMBL25459124

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6c(-c7cccc(-c8cccc9c8sc8ccccc89)c7)cccc6c45)c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
PRKDC P78527 9/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
BRD4 O60885 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
KCNH2 Q12809 1/20 0.37
BRDT Q58F21 1/20 0.37
LIMK1 P53667 1/20 0.35
ESR2 Q92731 2/20 0.33
ESR1 P03372 1/20 0.33
GGPS1 O95749 1/20 0.33
PARP14 Q460N5 1/20 0.33
MAPT P10636 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
DNPH1 O43598 1/20 0.32

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
SCHEMBL25459120 0.98 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL25459032 0.94 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL22248748 0.93 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23823882 0.93 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL22247983 0.93 ALOX5 (0.42) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL25459066 0.93 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL25458122 0.93 ALOX5 (0.44) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL21168093 0.92 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL20739794 0.92 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23686610 0.92 ALOX5 (0.37) ALOX5PRKDCPIK3CDPIK3CBBRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed