SCHEMBL7935392

SCHEMBL7935392

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALPG P10696 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SRD5A2 P31213 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
LTA4H P09960 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43

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 0.91 ALDH1A1 (0.61) LMNAHPGDSMN1; SMN2ALDH1A1SRD5A2
SCHEMBL8771948 0.89 ALDH1A1 (0.58) LMNAHPGDSMN1; SMN2ALDH1A1SRD5A2
SCHEMBL27483853 0.84 ALDH1A1 (0.70) LMNAHPGDSMN1; SMN2ALPGALDH1A1
Benzene SCHEMBL27709388 0.84 ALDH1A1 (0.70) LMNAHPGDSMN1; SMN2ALPGALDH1A1
SCHEMBL251921 0.84 ALDH1A1 (0.70) LMNAHPGDSMN1; SMN2ALPGALDH1A1
SCHEMBL7940606 0.84 ALDH1A1 (0.70) LMNAHPGDSMN1; SMN2ALPGALDH1A1
SCHEMBL17068941 0.84 ALDH1A1 (0.70) LMNAHPGDSMN1; SMN2ALPGALDH1A1
SCHEMBL7940723 0.84 MEN1 (0.63) LMNAHPGDALDH1A1SRD5A2USP2
SCHEMBL7373156 0.82 ALDH1A1 (0.67) LMNAHPGDSMN1; SMN2ALPGALDH1A1
SCHEMBL27432711 0.82 ALDH1A1 (0.57) LMNAHPGDSMN1; SMN2ALDH1A1SRD5A2

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