SCHEMBL27337186

SCHEMBL27337186

c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3cccc4c3ccc3c5ccccc5oc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATM Q13315 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
SCHEMBL27336941 1.00 ALOX5 (0.39) ALOX5CA12CA1CA2CA9
SCHEMBL27297063 1.00 ALOX5 (0.39) ALOX5CA12CA1CA2CA9
SCHEMBL24889046 1.00 ALOX5 (0.39) ALOX5CA12CA1CA2CA9
SCHEMBL27337380 0.96 ALOX5 (0.41) ALOX5CA12CA1CA2CA9
SCHEMBL27297206 0.94 ALOX5 (0.42) ALOX5CA12CA1CA2CA9
SCHEMBL23232637 0.94 ALOX5 (0.42) ALOX5CA12CA1CA2CA9
SCHEMBL23231840 0.94 ALOX5 (0.42) ALOX5CA12CA1CA2CA9
SCHEMBL23231835 0.94 ALOX5 (0.42) ALOX5CA12CA1CA2CA9
SCHEMBL24965111 0.94 ALOX5 (0.42) ALOX5CA12CA1CA2CA9
SCHEMBL24825474 0.94 ALOX5 (0.40) 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-2023199832-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-10-19 WO disclosed