SCHEMBL28664995

SCHEMBL28664995

Nc1cccc(S(=O)(=O)CC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA4 P22748 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 1/20 0.53
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP19A1 P11511 1/20 0.45
F2 P00734 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
PKM P14618 2/20 0.44
POLB P06746 1/20 0.44
PRMT1 Q99873 1/20 0.42
GCK P35557 1/20 0.41

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
SCHEMBL9303097 0.87 PNMT (0.44) LMNACA2CA1TSHRALDH1A1
SCHEMBL776129 0.80 MEN1 (0.42) CA2CA12CA1CA9PKM
SCHEMBL22619104 0.79 PNMT (0.40) LMNACA2CA1ALDH1A1POLB
SCHEMBL23501536 0.77 GAA (0.55) LMNACA2CA12CA1CA4
SCHEMBL29737578 0.77 LMNA (0.63) LMNACA2CA12CA1CA4
SCHEMBL1156252 0.77 LMNA (0.63) LMNACA2CA12CA1CA4
SCHEMBL30582763 0.77 GAA (0.51) LMNAALDH1A1F2PRSS1PRSS2
SCHEMBL778104 0.77 PSIP1 (0.54) CA2CA12CA1CA4CA9
SCHEMBL10179540 0.76 CYP3A4 (0.50) CA2CA1ALDH1A1POLBPNMT
SCHEMBL10180377 0.76 LOXL2 (0.41) LMNAALDH1A1POLBMAPK1PNMT

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
CN-108276358-B N-arylamidine substituted trifluoroethyl sulfide derivatives as acaricides and insecticides 拜尔农作物科学股份公司 2021-11-02 CN disclosed