SCHEMBL10692956

SCHEMBL10692956

C=C(N)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
PLA2G7 Q13093 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
TSHR P16473 1/20 0.48
HTR6 P50406 2/20 0.46
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL10599045 0.82 SMN1; SMN2 (0.55) SMN1; SMN2CA1CA2CA12CA3
SCHEMBL3953194 0.80 SMN1; SMN2 (0.43) SMN1; SMN2CA1CA2CA12CA3
SCHEMBL1319561 0.80 SMN1; SMN2 (0.52) SMN1; SMN2CA1CA2CA12CA3
Hydrochloric Acid SCHEMBL18825618 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CA1CA2CA12CA3
SCHEMBL1526740 0.78 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2CA12CA3
SCHEMBL9262998 0.78 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2CA12CA3
SCHEMBL27294672 0.78 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2CA12CA3
SCHEMBL1396567 0.76 SMN1; SMN2 (0.48) SMN1; SMN2CA1CA2CA12CA3
SCHEMBL778407 0.76 SMN1; SMN2 (0.48) SMN1; SMN2CA1CA2CA12CA3
SCHEMBL9043625 0.76 SMN1; SMN2 (0.48) SMN1; SMN2CA1CA2CA12CA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261079-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1988-03-23 EP disclosed
EP-0188473-A1 AZO COMPOUNDS CONTAINING A VINYLSULPHONYL GROUP AND AT LEAST ONE BASIC GROUP AND METAL COMPLEXES THEREOF. SANDOZ AG (CH) 1986-07-30 EP disclosed
WO-1986000632-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS SANDOZ AG (CH) 1986-01-30 WO disclosed
EP-0086510-B1 PROCESS FOR THE PREPARATION OF ENAMINES; NOVEL ENAMINES AND THE USE OF ENAMINES IN THE PREPARATION OF DIHYDROPYRIDINES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-11-13 EP disclosed