SCHEMBL3366499

SCHEMBL3366499

Cc1ccc([N]S(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ PRSS1 P07477 5/20 0.46
▸ F2 P00734 4/20 0.46
▸ PRSS2 P07478 4/20 0.46
▸ PRSS3 P35030 4/20 0.46
▸ EGFR P00533 1/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ GAA P10253 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ACR P10323 1/20 0.41
▸ CYP2C9 P11712 2/20 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
SCHEMBL5812728 0.90 F2 (0.53) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL5700154 0.81 MEN1 (0.54) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL13241418 0.76 ALDH1A1 (0.62) ALDH1A1EGFRERBB2KMT2AMEN1
SCHEMBL4616138 0.76 GAA (0.76) ALDH1A1EGFRERBB2KMT2AMEN1
SCHEMBL3369375 0.75 CNR2 (0.52) ALDH1A1KMT2AGAAHTTLMNA
SCHEMBL12444230 0.74 ALDH1A1 (0.68) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL10047339 0.74 ALDH1A1 (0.68) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL11368946 0.74 ALDH1A1 (0.50) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL12444214 0.74 ALDH1A1 (0.68) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL10047313 0.74 ALDH1A1 (0.68) ALDH1A1PRSS1F2PRSS2PRSS3

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
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