SCHEMBL7940688

SCHEMBL7940688

O=S(=O)(c1ccc(O)cc1)c1ccc(OC(Cl)(Cl)Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.59
GAA P10253 1/20 0.59
ELANE P08246 2/20 0.56
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
CA2 P00918 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
ENPP2 Q13822 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD11B1 P28845 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL7938157 0.84 ESR2 (0.50) MAPTLMNACA2CA12CA1
SCHEMBL1793623 0.81 ELANE (0.65) PKMGAAELANEPOLBMAPT
SCHEMBL7929090 0.81 SOS1 (0.46) PKMGAAELANEPOLBMAPT
SCHEMBL419122 0.81 ELANE (0.65) PKMGAAELANEPOLBMAPT
SCHEMBL7937278 0.81 PKM (0.59) PKMGAAELANEPOLBMAPT
SCHEMBL10907190 0.80 ELANE (0.58) PKMGAAELANEPOLBMAPT
SCHEMBL31012103 0.78 PKM (0.70) PKMGAAELANEPOLBMAPT
SCHEMBL5848771 0.78 PKM (0.70) PKMGAAELANEPOLBMAPT
SCHEMBL8076373 0.78 PKM (0.70) PKMGAAELANEPOLBMAPT
SCHEMBL8071139 0.78 PKM (0.70) PKMGAAELANEPOLBMAPT

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