SCHEMBL18665498

SCHEMBL18665498

N=NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.55
▸ PRSS1 P07477 3/20 0.55
▸ PRSS2 P07478 3/20 0.55
▸ PRSS3 P35030 3/20 0.55
▸ MMP2 P08253 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ SOS1 Q07889 1/20 0.41
▸ PKM P14618 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PTGS2 P35354 3/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 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
SCHEMBL7777272 0.76 F2 (0.55) F2PRSS1PRSS2PRSS3MMP2
SCHEMBL7770967 0.76 F2 (0.55) F2PRSS1PRSS2PRSS3MMP2
SCHEMBL4658355 0.76 F2 (0.57) F2PRSS1PRSS2PRSS3MMP2
SCHEMBL7303158 0.76 F2 (0.55) F2PRSS1PRSS2PRSS3MMP2
SCHEMBL28574997 0.75 HTR6 (0.50) MMP2CA1CA2MMP1MMP9
SCHEMBL12784309 0.74 F2 (0.59) F2PRSS1PRSS2PRSS3MMP2
SCHEMBL1124662 0.73 F2 (0.52) F2PRSS1PRSS2PRSS3MMP2
SCHEMBL5795166 0.72 MMP2 (0.50) F2PRSS1PRSS2PRSS3MMP2
SCHEMBL2170132 0.72 CA1 (0.50) F2PRSS1PRSS2PRSS3MMP2
SCHEMBL25376416 0.71 F2 (0.50) F2PRSS1PRSS2PRSS3MMP2

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-2017048675-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-23 — — WO disclosed
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