SCHEMBL5166737

SCHEMBL5166737

CCCOc1ccccc1CS(=O)(=O)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.44
ATM Q13315 2/20 0.44
HPGD P15428 1/20 0.44
HTR6 P50406 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDE5A O76074 2/20 0.41
GLA P06280 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL5164811 0.80 GAA (0.55) KDM4EMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL13370774 0.76 HTR6 (0.58) KDM4EHTR6KMT2AGLATP53
SCHEMBL9390366 0.76 L3MBTL1 (0.47) L3MBTL1KDM4EMAPTATMHPGD
SCHEMBL28835130 0.76 ALDH1A1 (0.50) L3MBTL1KDM4EHTR6KMT2ASMN1; SMN2
SCHEMBL8714605 0.75 HTR6 (0.50) L3MBTL1KDM4EMAPTATMHPGD
SCHEMBL5420692 0.74 L3MBTL1 (0.71) L3MBTL1KDM4EMAPTATMHPGD
SCHEMBL4247206 0.72 HTR6 (0.58) KDM4EHTR6KMT2ATP53SMN1; SMN2
SCHEMBL5164020 0.72 TSHR (0.41) KDM4EMAPTHPGDHTR6GLA
SCHEMBL20314686 0.72 HTR6 (0.50) HTR6
1-Methoxy-2-Propoxybenzene SCHEMBL791386 0.72 L3MBTL1 (0.60) L3MBTL1MAPTHPGDTP53SMN1; SMN2

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
EP-1765332-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-03-28 EP disclosed
WO-2006009876-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-01-26 WO disclosed