SCHEMBL3369375

SCHEMBL3369375

CCOc1ccc(S(=O)(=O)[N]c2ccc(C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ PIR O00625 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ NQO1 P15559 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL5812728 0.83 F2 (0.53) CA12CA1CA2CA7CA9
SCHEMBL10034484 0.80 GAA (0.61) CNR2CA12CA1CA2CA7
SCHEMBL10047329 0.78 ALDH1A1 (0.72) CNR2CA12CA1CA2CA7
SCHEMBL12515615 0.78 ALDH1A1 (0.72) CNR2CA12CA1CA2CA7
SCHEMBL16787934 0.76 NQO1 (0.58) ALDH1A1CYP1A2SMN1; SMN2KMT2ANQO1
SCHEMBL15080905 0.76 NQO1 (0.58) ALDH1A1CYP1A2SMN1; SMN2KMT2ANQO1
SCHEMBL15952072 0.76 GAA (0.63) CNR2CA12CA1CA2CA7
SCHEMBL92159 0.75 NQO1 (0.78) CA12CA1CA2CA7CA9
SCHEMBL3366499 0.75 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL5700154 0.74 MEN1 (0.54) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335901-B1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES MERCK SERONO SA (CH) 2010-04-14 — — EP disclosed
EP-1335901-A1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2003-08-20 — — EP disclosed
WO-2002032864-A1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-25 — — WO disclosed
Send feedback