SCHEMBL7772196

SCHEMBL7772196

Nc1c(Cl)cc(S(=O)(=O)F)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.64
CA2 P00918 12/20 0.64
CA9 Q16790 11/20 0.64
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
CA4 P22748 5/20 0.42
CA12 O43570 4/20 0.42
CA6 P23280 4/20 0.42
CA5A P35218 4/20 0.42
CA7 P43166 4/20 0.42
CA14 Q9ULX7 4/20 0.42
CA5B Q9Y2D0 4/20 0.42
CA13 Q8N1Q1 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CA3 P07451 3/20 0.35

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
SCHEMBL5981987 0.80 CA1 (0.70) CA1CA2CA9POLBAPEX1
SCHEMBL7769087 0.80 VCAM1 (0.50) CA1CA2CA9L3MBTL1ALDH1A1
SCHEMBL1337250 0.78 CA1 (0.67) CA1CA2CA9POLBAPEX1
SCHEMBL3781532 0.78 CA1 (1.00) CA1CA2CA9POLBAPEX1
SCHEMBL2865112 0.76 CA1 (0.64) CA1CA2CA9POLBAPEX1
SCHEMBL1449764 0.76 CA1 (0.64) CA1CA2CA9POLBAPEX1
SCHEMBL9655024 0.76 HSD17B10 (0.46) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL11062896 0.76 CA2 (0.57) CA1CA2CA9POLBAPEX1
SCHEMBL5738131 0.76 CA1 (0.68) CA1CA2CA9ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL7948500 0.74 CA1 (0.61) CA1CA2CA9POLBAPEX1

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