SCHEMBL25458405

SCHEMBL25458405

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4cc(-c6ccc7c(c6)oc6ccccc67)ccc45)c3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.54
PRKDC P78527 4/20 0.48
GGPS1 O95749 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.41
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MAPT P10636 4/20 0.39
HCRTR1 O43613 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
AHR P35869 1/20 0.38
PLA2G2A P14555 2/20 0.38
PLA2G4A P47712 2/20 0.38
PLA2G10 O15496 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL22760596 1.00 ALOX5 (0.54) ALOX5PRKDCGGPS1PTGES2MMP12
SCHEMBL22760601 1.00 ALOX5 (0.54) ALOX5PRKDCGGPS1PTGES2MMP12
SCHEMBL22240977 1.00 ALOX5 (0.54) ALOX5PRKDCGGPS1PTGES2MMP12
SCHEMBL25645725 1.00 ALOX5 (0.54) ALOX5PRKDCGGPS1PTGES2MMP12
SCHEMBL25645732 0.99 ALOX5 (0.53) ALOX5PRKDCGGPS1PTGES2MMP12
SCHEMBL24097550 0.99 ALOX5 (0.53) ALOX5PRKDCGGPS1PTGES2MMP12
SCHEMBL24097378 0.97 ALOX5 (0.54) ALOX5PRKDCGGPS1PTGES2MMP12
SCHEMBL23913434 0.97 ALOX5 (0.54) ALOX5PRKDCGGPS1PTGES2MMP12
SCHEMBL25646008 0.97 ALOX5 (0.54) ALOX5PRKDCGGPS1PTGES2MMP12
SCHEMBL26959399 0.97 ALOX5 (0.51) ALOX5PRKDCGGPS1PTGES2MMP12

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