SCHEMBL25458374

SCHEMBL25458374

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4c(-c6cccc(-c7ccc8oc9ccc(-n%10c%11ccccc%11c%11cc(-c%12ccccc%12)ccc%11%10)cc9c8c7)c6)cccc45)n3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
PRKDC P78527 8/20 0.34
PLA2G2A P14555 3/20 0.34
PLA2G4A P47712 3/20 0.34
PLA2G10 O15496 1/20 0.34
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
RAC2 P15153 1/20 0.31
RAC3 P60763 1/20 0.31
CDC42 P60953 1/20 0.31
RAC1 P63000 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL25458350 0.99 ALOX5 (0.35) ALOX5PRKDCPLA2G2APLA2G4APLA2G10
SCHEMBL25458450 0.96 ALOX5 (0.38) ALOX5PRKDCPLA2G2APLA2G4APIM1
SCHEMBL25954300 0.96 ALOX5 (0.36) ALOX5PRKDCPLA2G2APLA2G4APLA2G10
SCHEMBL25458507 0.96 PIM1 (0.35) ALOX5PRKDCPLA2G2APLA2G4APLA2G10
SCHEMBL23823855 0.95 PRKDC (0.35) ALOX5PRKDCPLA2G2APLA2G4APLA2G10
SCHEMBL25458373 0.95 ALOX5 (0.35) ALOX5PRKDCPLA2G2APLA2G4APLA2G10
SCHEMBL25458485 0.95 PIM1 (0.36) ALOX5PLA2G2APLA2G4APLA2G10PIM1
SCHEMBL25926301 0.95 ALOX5 (0.38) ALOX5PRKDCPLA2G2APLA2G4APLA2G10
SCHEMBL25458348 0.94 ALOX5 (0.36) ALOX5PRKDCPLA2G2APLA2G4APLA2G10
SCHEMBL25458326 0.94 PIM1 (0.35) ALOX5PRKDCPLA2G2APLA2G4APLA2G10

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