SCHEMBL24696288

SCHEMBL24696288

c1ccc(-c2ccc(-c3nc(-c4cccc5c4oc4ccc(-c6ccc(-c7cccc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11nc(-c%12ccccc%12)nc(-c%12cccc%13c%12oc%12ccccc%12%13)n%11)c%10c98)c7)cc6)cc45)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PRKDC P78527 2/20 0.32
GGPS1 O95749 1/20 0.32
MAPT P10636 4/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
PLA2G2A P14555 2/20 0.31
PLA2G4A P47712 2/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 2/20 0.31
PDE10A Q9Y233 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL23602351 0.95 ALOX5 (0.35) ALOX5PRKDCGGPS1MAPTKDM4E
SCHEMBL27044172 0.95 ALOX5 (0.36) ALOX5PRKDCGGPS1MAPTKDM4E
SCHEMBL24390304 0.95 PIM1 (0.34) ALOX5PIM1CSNK2A2CSNK2BPIM3
SCHEMBL19769769 0.94 ALOX5 (0.37) ALOX5PRKDCGGPS1MAPTKDM4E
SCHEMBL25009386 0.93 PRKDC (0.36) ALOX5PRKDCGGPS1MAPTPDE10A
SCHEMBL26584584 0.93 ALOX5 (0.36) ALOX5PIM1CSNK2A2CSNK2BPIM3
SCHEMBL16451797 0.92 ALOX5 (0.33) ALOX5PIM1CSNK2A2CSNK2BPIM3
SCHEMBL25964825 0.92 ALOX5 (0.38) ALOX5PRKDCGGPS1MAPTKDM4E
SCHEMBL23601884 0.92 PRKDC (0.34) ALOX5PRKDCGGPS1KDM4E
SCHEMBL24696284 0.92 ALOX5 (0.35) ALOX5PRKDCGGPS1MAPTKDM4E

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-2022255241-A1 DEUTERIDE AND ORGANIC ELECTROLUMINESCENT ELEMENT 日鉄ケミカル&マテリアル株式会社 2022-12-08 WO disclosed