SCHEMBL10062047

SCHEMBL10062047

C=C/C=C\C=C(/C)N(c1ccc(-c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)cc1)c1cccc(C)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
PTGIR P43119 2/20 0.32
NPC1 O15118 1/20 0.30
JAK2 O60674 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
PAX8 Q06710 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL21335349 0.98 HSD17B1 (0.33) HSD17B1HSD17B2PTGIR
SCHEMBL14040118 0.90 HSD17B1 (0.36) HSD17B1HSD17B2NPC1ALDH1A1RAB9A
SCHEMBL10071289 0.90 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL23972151 0.89 MAPT (0.33) ALDH1A1MAPT
SCHEMBL19414747 0.85 TRPM8 (0.39) PTGIRALDH1A1MAPT
SCHEMBL12811441 0.85 MAPT (0.33) ALDH1A1MAPT
SCHEMBL23656346 0.84 PTGIR (0.34) PTGIRNPC1JAK2ALDH1A1HTT
SCHEMBL24923087 0.83 APP (0.45) HSD17B1HSD17B2RAB9APOLBMAPT
SCHEMBL22384728 0.83 MKNK1 (0.37)
SCHEMBL25012789 0.83

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
EP-2413663-A1 COATING SOLUTION FOR ORGANIC ELECTROLUMINESCENT ELEMENT FUJIFILM Corporation (JP) 2012-02-01 EP disclosed