SCHEMBL11512464

SCHEMBL11512464

Cc1ccc(S(=O)(=O)N(NC(N)=O)C(=O)OC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.45
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
ALDH1A1 P00352 2/20 0.39
AGER Q15109 1/20 0.39
HPGD P15428 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
PLAU P00749 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL11513215 0.89 CA12 (0.42) PTGESMAPTF2PRSS1PRSS2
SCHEMBL11514188 0.87 PTGES (0.46) PTGESMAPTPOLBALDH1A1AGER
SCHEMBL11511788 0.82 F2 (0.46) PTGESMAPTPOLBF2PRSS1
SCHEMBL11512631 0.80 PTGES (0.57) PTGESMAPTALDH1A1CA12CA9
SCHEMBL11512225 0.76 PTGES (0.62) PTGESMAPTALDH1A1CA12CA9
SCHEMBL11852635 0.76 ALDH1A1 (0.49) PTGESMAPTPOLBALDH1A1AGER
SCHEMBL11512933 0.76 PTGES (0.43) PTGESALDH1A1HPGDMEN1KMT2A
SCHEMBL11513464 0.76 TSHR (0.31)
SCHEMBL11511705 0.75 POLB (0.41) PTGESMAPTPOLBALDH1A1AGER
SCHEMBL11512557 0.74 F2 (0.47) MAPTPOLBF2PRSS1PRSS2

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
US-4175200-A N,N-Disubstituted sulfonyl hydrazines UNIROYAL, INC. (US) 1979-11-20 US disclosed