SCHEMBL10692333

SCHEMBL10692333

CN(C)S(=O)(=O)c1cc(Br)c(N)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.59
CA2 P00918 6/20 0.59
CA9 Q16790 6/20 0.59
CA3 P07451 1/20 0.59
MAPT P10636 2/20 0.47
ALDH1A1 P00352 4/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 4/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL17200503 0.81 MAPT (0.42) CA1CA2CA9CA3MAPT
SCHEMBL11651184 0.79 MAPT (0.47) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL10695843 0.79 TSHR (0.54) CA1CA2CA9CA3ALDH1A1
SCHEMBL10693083 0.79 CA1 (0.63) CA1CA2CA9CA3MAPT
SCHEMBL9350559 0.76 CA2 (0.67) CA1CA2CA9CA3MAPT
SCHEMBL30633560 0.76 MAPT (0.47) MAPTALDH1A1PKMMEN1POLB
SCHEMBL11444393 0.75 CA1 (0.57) CA1CA2CA9ALDH1A1PKM
SCHEMBL5981611 0.75 CA2 (0.73) CA1CA2CA9CA3MAPT
SCHEMBL11136228 0.75 CA2 (1.00) CA1CA2CA9CA3MAPT
SCHEMBL11649011 0.73 MAPT (0.43) CA1CA2MAPTALDH1A1PKM

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
US-4754024-A Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups CIBA-GEIGY CORPORATION 1988-06-28 US disclosed
EP-0112285-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-03-18 EP disclosed
EP-0112285-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1984-06-27 EP disclosed
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed