SCHEMBL7938520

SCHEMBL7938520

O=S(=O)(c1ccccc1)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
SOS1 Q07889 2/20 0.61
FFAR1 O14842 2/20 0.61
FFAR4 Q5NUL3 1/20 0.61
HTR6 P50406 1/20 0.54
NR3C1 P04150 1/20 0.52
BCL2L1 Q07817 1/20 0.51
MCL1 Q07820 1/20 0.51
HTR2A P28223 3/20 0.50
HTR2C P28335 2/20 0.50
PGR P06401 2/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSPB1 P04792 1/20 0.47

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
SCHEMBL11519866 0.92 SOS1 (0.70) HTTSMN1; SMN2SOS1FFAR1FFAR4
SCHEMBL14138146 0.92 SOS1 (0.70) HTTSMN1; SMN2SOS1FFAR1FFAR4
SCHEMBL9779005 0.92 SOS1 (0.70) HTTSMN1; SMN2SOS1FFAR1FFAR4
SCHEMBL6848913 0.90 HTT (0.74) HTTSMN1; SMN2SOS1HTR6PGR
SCHEMBL9323430 0.88 HTT (0.78) HTTSMN1; SMN2SOS1FFAR1HTR6
SCHEMBL7937274 0.88 HTR6 (0.70) HTTSMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL11980110 0.88 HTR6 (0.70) HTTSMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL778229 0.88 HTR6 (0.70) HTTSMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL6123058 0.86 HTT (0.81) HTTSMN1; SMN2SOS1FFAR1HTR6
SCHEMBL17559302 0.86 HTT (0.81) HTTSMN1; SMN2SOS1FFAR1HTR6

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