SCHEMBL8724036

SCHEMBL8724036

[N]=Nc1ccc(S(=O)(=O)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.42
TMPRSS4 Q9NRS4 2/20 0.42
CYP2D6 P10635 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
CA2 P00918 7/20 0.33
CA9 Q16790 6/20 0.33
CA12 O43570 3/20 0.33
POLB P06746 1/20 0.33
CA1 P00915 5/20 0.32
CA7 P43166 3/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL11574176 0.79 TSHR (0.56) F2TMPRSS4CYP2D6TP53CYP1A2
SCHEMBL21377607 0.76 F2 (0.42) F2TMPRSS4CYP2D6TP53CYP1A2
SCHEMBL8724038 0.76 F2 (0.42) F2TMPRSS4CYP2D6TP53CYP1A2
SCHEMBL8328140 0.76 ENPP2 (0.50) PTGS2PTGS1
SCHEMBL5664827 0.76 POLB (0.57) CYP2D6TSHRCA2CA9CA12
SCHEMBL8727720 0.74 CA2 (0.41) CA2CA9CA12POLBCA1
SCHEMBL10348147 0.73 CYP3A4 (0.48) F2TMPRSS4CYP2D6TP53CYP1A2
SCHEMBL20213950 0.73 F2 (0.39) F2TMPRSS4CYP2D6TP53CYP1A2
SCHEMBL11811491 0.73 CYP2D6 (0.64) F2TMPRSS4CYP2D6TP53CYP1A2
SCHEMBL11811487 0.73 CYP2D6 (0.64) F2TMPRSS4CYP2D6TP53CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739299-A GOOD WET FASTNESS AND LIGHT FASTNESS PROPERTIES ZENECA LIMITED (GB) 1998-04-14 US claimed