SCHEMBL7769757

SCHEMBL7769757

Nc1ccc(S(=O)(=O)F)cc1Br

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.70
CA1 P00915 11/20 0.70
CA9 Q16790 11/20 0.70
CA12 O43570 6/20 0.70
CA4 P22748 5/20 0.70
CA6 P23280 5/20 0.70
CA5A P35218 5/20 0.70
CA7 P43166 5/20 0.70
CA14 Q9ULX7 5/20 0.70
CA5B Q9Y2D0 5/20 0.70
CA3 P07451 1/20 0.43
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.41
F2 P00734 2/20 0.38

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
SCHEMBL2811342 0.83 CA2 (0.76) CA2CA1CA9CA12CA4
SCHEMBL878968 0.83 CA2 (1.00) CA2CA1CA9CA12CA4
SCHEMBL30351262 0.83 CA2 (1.00) CA2CA1CA9CA12CA4
SCHEMBL10391068 0.80 ALDH1A1 (0.61) CA2CA1CA9CA12CA4
SCHEMBL3434572 0.79 CA2 (0.70) CA2CA1CA9CA12CA4
SCHEMBL8492996 0.79 CA2 (0.70) CA2CA1CA9CA12CA4
SCHEMBL29948313 0.79 CA2 (0.70) CA2CA1CA9CA12CA4
SCHEMBL10694524 0.79 CA2 (0.70) CA2CA1CA9CA12CA4
SCHEMBL3223963 0.79 ALDH1A1 (0.47) CA2CA1CA9CA12CA4
SCHEMBL20526549 0.79 ALDH1A1 (0.70) CA2CA1CA9CA12CA4

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-0740690-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF SYNGENTA LTD (GB) 2001-06-20 EP disclosed
US-5739299-A GOOD WET FASTNESS AND LIGHT FASTNESS PROPERTIES ZENECA LIMITED (GB) 1998-04-14 US disclosed
EP-0740690-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-11-06 EP disclosed
WO-1995020014-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1995-07-27 WO disclosed