SCHEMBL10693083

SCHEMBL10693083

CN(C)S(=O)(=O)c1ccc(N)c(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.63
CA2 P00918 3/20 0.63
CA9 Q16790 3/20 0.63
CA12 O43570 1/20 0.63
CA4 P22748 1/20 0.63
CA6 P23280 1/20 0.63
CA5A P35218 1/20 0.63
CA7 P43166 1/20 0.63
CA14 Q9ULX7 1/20 0.63
CA5B Q9Y2D0 1/20 0.63
ALDH1A1 P00352 5/20 0.58
PKM P14618 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 2/20 0.56
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL3077036 0.90 ALDH1A1 (0.53) CA1CA2CA9CA12CA4
SCHEMBL5623940 0.83 ALDH1A1 (0.60) CA1CA2CA9CA12CA4
SCHEMBL914479 0.82 ALDH1A1 (0.64) ALDH1A1PKMMEN1KMT2APOLB
SCHEMBL10693294 0.81 CA12 (0.58) CA1CA2CA9CA12CA4
SCHEMBL1369561 0.79 MAPT (0.57) ALDH1A1PKMMEN1KMT2APOLB
SCHEMBL10692333 0.79 CA1 (0.59) CA1CA2CA9CA12CA4
SCHEMBL29948313 0.79 CA2 (0.70) CA1CA2CA9CA12CA4
SCHEMBL10694524 0.79 CA2 (0.70) CA1CA2CA9CA12CA4
SCHEMBL7769757 0.79 CA2 (0.70) CA1CA2CA9CA12CA4
SCHEMBL2811342 0.78 CA2 (0.76) CA1CA2CA9CA12CA4

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
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