SCHEMBL17707671

SCHEMBL17707671

O=C(NCc1ccccc1)ON1CC2(C1)CN(S(=O)(=O)c1ccc(Cl)cc1Cl)C2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.50
▸ TRPV4 Q9HBA0 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.42
▸ PKM P14618 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ TRPM8 Q7Z2W7 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ USP5 P45974 1/20 0.39

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
SCHEMBL14892785 0.85 EPHX2 (0.68) EPHX2TRPV4TDP1PKMKMT2A
SCHEMBL14920210 0.74 EPHX2 (0.52) EPHX2TRPV4HSD11B1TRPM8KCNH2
SCHEMBL17707658 0.72 EPHX2 (0.76) EPHX2ALDH1A1CA12CA1CA2
SCHEMBL17707655 0.71 EPHX2 (0.72) EPHX2
SCHEMBL30306676 0.68 EPHX1 (0.49) EPHX2PKMKMT2AALDH1A1
SCHEMBL26764345 0.68 EPHX1 (0.49) EPHX2PKMKMT2AALDH1A1
SCHEMBL17707670 0.67 EPHX2 (0.72) EPHX2PKMSMN1; SMN2ALDH1A1
SCHEMBL16200782 0.66 EPHX2 (0.81) EPHX2
SCHEMBL31212421 0.66 TRPV4 (0.68) TRPV4TDP1KMT2ASMN1; SMN2HSD11B1
SCHEMBL23390426 0.66 MAPT (0.54) TRPV4KMT2ASMN1; SMN2TRPM8KCNH2

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-2773644-B1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE HOFFMANN LA ROCHE (CH) 2016-05-04 — — EP claimed
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