SCHEMBL7764247

SCHEMBL7764247

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
TMPRSS4 Q9NRS4 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
MAPT P10636 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 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
SCHEMBL24774139 0.82 ENPP2 (0.43) TSHRLMNACYP3A4PTGS1
SCHEMBL7772183 0.78 F2 (0.39) F2TMPRSS4CYP1A2CYP2D6TP53
SCHEMBL5871728 0.73 AOC3 (0.40) CYP1A2CYP2D6LMNAESR1PGR
SCHEMBL24810807 0.73 ALDH1A1 (0.50) F2TMPRSS4CYP1A2CYP2D6TP53
SCHEMBL11574176 0.71 TSHR (0.56) F2TMPRSS4CYP1A2CYP2D6TP53
SCHEMBL953630 0.70 CHRNA7 (0.41) CYP1A2CYP2D6LMNAESR1PGR
SCHEMBL15486101 0.70 HTR2A (0.40) CYP1A2CYP2D6LMNAESR1PGR
SCHEMBL11698441 0.70 F2 (0.43) F2TMPRSS4CYP1A2CYP2D6TP53
SCHEMBL7572550 0.69 F2 (0.39) F2TMPRSS4CYP1A2CYP2D6TP53
SCHEMBL626386 0.69 ADRB2 (0.46) F2TMPRSS4CYP1A2CYP2D6TP53

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