SCHEMBL16610094

SCHEMBL16610094

O=C(NCCO)c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
NR1H4 Q96RI1 1/20 0.58
CHRM4 P08173 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
KCNK2 O95069 8/20 0.50
KCNK10 P57789 7/20 0.50
HDAC4 P56524 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MMP13 P45452 1/20 0.48
PTPRZ1 P23471 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
NAMPT P43490 1/20 0.46
MLYCD O95822 1/20 0.44

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
SCHEMBL9863063 0.81 POLB (0.54) HDAC4HDAC6MMP13POLBHPGD
SCHEMBL620074 0.80 POLB (0.66) HDAC4HDAC6MMP13POLBHPGD
SCHEMBL16599470 0.80 EPHX2 (0.58) EPHX2NR1H4CHRM4TRPV1KCNK2
SCHEMBL21995806 0.80 TRPV1 (0.56) EPHX2NR1H4TRPV1KCNK2KCNK10
SCHEMBL16599531 0.78 EPHX2 (0.59) EPHX2NR1H4CHRM4TRPV1KCNK2
SCHEMBL13741558 0.78 PLK1 (0.59) EPHX2NR1H4MMP13POLBHPGD
SCHEMBL13485813 0.78 TRPV1 (0.58) EPHX2NR1H4TRPV1KCNK2KCNK10
SCHEMBL6497472 0.76 TRPV1 (0.56) EPHX2NR1H4TRPV1KCNK2KCNK10
SCHEMBL6497474 0.76 PLK1 (0.61) EPHX2NR1H4TRPV1KCNK2KCNK10
SCHEMBL16610093 0.76 EPHX2 (0.53) EPHX2NR1H4CHRM4TRPV1KCNK2

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