SCHEMBL7772183

SCHEMBL7772183

CC(Br)c1ccc(S(=O)(=O)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.39
TMPRSS4 Q9NRS4 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.37
CA2 P00918 7/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 3/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32

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
SCHEMBL24810807 0.82 ALDH1A1 (0.50) F2TMPRSS4TP53CYP1A2CYP2D6
SCHEMBL1940689 0.80 ENPP2 (0.48) TSHRALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL17044646 0.78 LMNA (0.48) CYP2D6TSHRALDH1A1CA2LMNA
SCHEMBL7572550 0.78 F2 (0.39) F2TMPRSS4TP53CYP1A2CYP2D6
SCHEMBL17044641 0.78 NR1I2 (0.45) ALDH1A1CA2LMNAMAPTKDM4E
SCHEMBL1597018 0.78 ALDH1A1 (0.44) ALDH1A1CA2LMNAMAPTKDM4E
SCHEMBL626386 0.78 ADRB2 (0.46) F2TMPRSS4TP53CYP1A2CYP2D6
SCHEMBL7764247 0.78 F2 (0.40) F2TMPRSS4TP53CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL600649 0.77 F2 (0.46) F2TMPRSS4TP53CYP1A2CYP2D6
SCHEMBL24724078 0.77 CDK1 (0.38) ALDH1A1LMNAMAPTKDM4EGAA

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-0740690-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF SYNGENTA LTD (GB) 2001-06-20 EP 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