SCHEMBL16610093

SCHEMBL16610093

O=C(NCC1C=CC=C1)c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
TRPV1 Q8NER1 1/20 0.47
KCNK2 O95069 12/20 0.46
KCNK10 P57789 9/20 0.46
CHRM4 P08173 1/20 0.46
PTPRZ1 P23471 1/20 0.43
NAMPT P43490 1/20 0.42
MLYCD O95822 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KIF11 P52732 1/20 0.38

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
SCHEMBL16610094 0.76 EPHX2 (0.58) EPHX2NR1H4TRPV1KCNK2KCNK10
SCHEMBL16610021 0.75 EPHX2 (0.48) EPHX2NR1H4TRPV1KCNK2KCNK10
SCHEMBL21995806 0.75 TRPV1 (0.56) EPHX2NR1H4TRPV1KCNK2KCNK10
SCHEMBL16599531 0.74 EPHX2 (0.59) EPHX2NR1H4TRPV1KCNK2KCNK10
SCHEMBL13485813 0.73 TRPV1 (0.58) EPHX2NR1H4TRPV1KCNK2KCNK10
SCHEMBL16599470 0.72 EPHX2 (0.58) EPHX2NR1H4TRPV1KCNK2KCNK10
SCHEMBL6497474 0.72 PLK1 (0.61) EPHX2NR1H4TRPV1KCNK2KCNK10
SCHEMBL6497472 0.72 TRPV1 (0.56) EPHX2NR1H4TRPV1KCNK2KCNK10
SCHEMBL2288249 0.70 EPHX2 (0.74) EPHX2NR1H4TRPV1PTPRZ1NAMPT
SCHEMBL16609988 0.70 EPHX2 (0.58) EPHX2NR1H4TRPV1KCNK2KCNK10

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-2015044397-A1 ORGANOMETALLIC COMPOUNDS FOR USE AS ANTHELMINTICS Universität Zürich (CH) 2015-04-02 WO disclosed