SCHEMBL27355342

SCHEMBL27355342

c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(-c4ccccc4)ccc3-c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
GGPS1 O95749 1/20 0.38
PRKDC P78527 3/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
CDC14B O60729 1/20 0.34
CDC14A Q9UNH5 1/20 0.34
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL27389734 1.00 ALOX5 (0.45) ALOX5CA12CA1CA2CA9
SCHEMBL24749604 0.98 ALOX5 (0.46) ALOX5CA12CA1CA2CA9
SCHEMBL24748096 0.98 ALOX5 (0.48) ALOX5CA12CA1CA2CA9
SCHEMBL24748101 0.98 ALOX5 (0.48) ALOX5CA12CA1CA2CA9
SCHEMBL24749602 0.98 ALOX5 (0.48) ALOX5CA12CA1CA2CA9
SCHEMBL27354934 0.97 ALOX5 (0.44) ALOX5CA12CA1CA2CA9
SCHEMBL24749603 0.97 ALOX5 (0.49) ALOX5CA12CA1CA2CA9
SCHEMBL24749600 0.96 ALOX5 (0.45) ALOX5CA12CA1CA2CA9
SCHEMBL24751036 0.96 ALOX5 (0.42) ALOX5CA12CA1CA2CA9
SCHEMBL24748100 0.96 ALOX5 (0.48) ALOX5CA12CA1CA2CA9

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-2024013275-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-01-18 WO disclosed