SCHEMBL25458536

SCHEMBL25458536

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4cccc(-c6ccc7c(c6)oc6ccccc67)c45)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.49
▸ PRKDC P78527 1/20 0.44
▸ GGPS1 O95749 1/20 0.40
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ MAPT P10636 7/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ TSHR P16473 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ AHR P35869 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL23823810 1.00 ALOX5 (0.49) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL25851865 0.98 ALOX5 (0.47) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL26959374 0.98 ALOX5 (0.47) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL23228130 0.96 ALOX5 (0.51) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL25459344 0.96 ALOX5 (0.51) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL22760288 0.96 ALOX5 (0.47) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL25851864 0.95 ALOX5 (0.44) ALOX5PRKDCGGPS1MAPTHCRTR1
SCHEMBL23821508 0.95 ALOX5 (0.49) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL21658965 0.95 ALOX5 (0.46) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL25851863 0.95 ALOX5 (0.46) ALOX5PRKDCGGPS1MAPTHCRTR1

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
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