SCHEMBL7940723

SCHEMBL7940723

O=C(c1ccccc1)c1ccc([S+]([O-])c2ccc(O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
RAB9A P51151 3/20 0.63
LMNA P02545 2/20 0.63
MAPT P10636 2/20 0.63
HPGD P15428 2/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
PKM P14618 1/20 0.56
HTT P42858 1/20 0.56
SRD5A2 P31213 2/20 0.53
CES2 O00748 1/20 0.53
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 2/20 0.51
LIG1 P18858 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL1576927 0.92 ALDH1A1 (0.61) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL8771948 0.90 ALDH1A1 (0.58) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL21679527 0.87 LMNA (0.49) MEN1KMT2ARAB9ALMNAMAPT
Benzophenone SCHEMBL27537831 0.84 MEN1 (0.86) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL9400453 0.84 MEN1 (0.86) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL7938553 0.84 MEN1 (0.86) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL124916 0.84 MEN1 (0.86) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL7935392 0.84 LMNA (0.51) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL27432711 0.84 ALDH1A1 (0.57) MEN1KMT2ARAB9ALMNAHPGD
SCHEMBL487058 0.82 CA12 (0.48) MEN1KMT2ARAB9ALMNAMAPT

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