SCHEMBL7937451

SCHEMBL7937451

O=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.70
GAA P10253 2/20 0.59
POLB P06746 1/20 0.59
GFER P55789 1/20 0.59
PKM P14618 1/20 0.57
ESR1 P03372 2/20 0.55
LMNA P02545 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
ENPP2 Q13822 1/20 0.52
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD11B1 P28845 1/20 0.48
UQCRB P14927 1/20 0.48
HPGD P15428 1/20 0.48
ELANE P08246 1/20 0.48

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
SCHEMBL312518 1.00 HTR6 (0.70) HTR6GAAPOLBGFERPKM
(Phenylsulfonyl)Benzene SCHEMBL5483054 0.97 HTR6 (0.74) HTR6GAAPOLBGFERPKM
Phenol SCHEMBL6905378 0.95 HTR6 (0.62) HTR6GAAPOLBGFERPKM
SCHEMBL7935388 0.93 HTR6 (0.61) HTR6GAAPOLBGFERPKM
Biphenyl SCHEMBL28423762 0.93 HTR6 (0.61) HTR6GAAPOLBGFERPKM
(Phenylsulfonyl)Benzene SCHEMBL28171322 0.92 HTR6 (0.74) HTR6GAAPOLBGFERPKM
(Phenylsulfonyl)Benzene SCHEMBL10795426 0.92 HTR6 (0.74) HTR6GAAPOLBGFERPKM
Biphenyl SCHEMBL4429619 0.91 MMP3 (0.61) HTR6GAAPOLBGFERPKM
SCHEMBL18838 0.89 GAA (0.67) HTR6GAAPOLBPKMLMNA
SCHEMBL29724901 0.89 GAA (0.67) HTR6GAAPOLBPKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed