SCHEMBL24749600

SCHEMBL24749600

c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
GGPS1 O95749 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
PRKDC P78527 3/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
SLC6A9 P48067 1/20 0.32
CDC14B O60729 1/20 0.32
CDC14A Q9UNH5 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
PLA2G2A P14555 2/20 0.31
PLA2G4A P47712 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
SCHEMBL24748194 0.97 ALOX5 (0.42) ALOX5GGPS1CA12CA1CA2
SCHEMBL24749604 0.96 ALOX5 (0.46) ALOX5GGPS1CA12CA1CA2
SCHEMBL27355342 0.96 ALOX5 (0.45) ALOX5GGPS1CA12CA1CA2
SCHEMBL27389734 0.96 ALOX5 (0.45) ALOX5GGPS1CA12CA1CA2
SCHEMBL24748096 0.96 ALOX5 (0.48) ALOX5GGPS1CA12CA1CA2
SCHEMBL24748101 0.96 ALOX5 (0.48) ALOX5GGPS1CA12CA1CA2
SCHEMBL24749602 0.96 ALOX5 (0.48) ALOX5GGPS1CA12CA1CA2
SCHEMBL24749603 0.95 ALOX5 (0.49) ALOX5GGPS1CA12CA1CA2
SCHEMBL24748100 0.94 ALOX5 (0.48) ALOX5GGPS1CA12CA1CA2
SCHEMBL24747695 0.93 ALOX5 (0.44) ALOX5GGPS1CA12CA1CA2

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-2022259886-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2022-12-15 WO disclosed