SCHEMBL4000802

SCHEMBL4000802

COc1cc(Cl)c(S(=O)(=O)CNCCO)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 2/20 0.36
POLB P06746 2/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.35
SLC2A1 P11166 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DDR1 Q08345 1/20 0.34
ADORA2A P29274 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL4000323 0.84 TSHR (0.40) KMT2ASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL3996967 0.82 KMT2A (0.46) KMT2ASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL4484350 0.80 TDP1 (0.36) SMN1; SMN2TSHRPOLBGAAALDH1A1
SCHEMBL6279227 0.71 TSHR (0.42) CYP1A2CYP2D6TSHRPOLBCYP2C19
SCHEMBL16478541 0.70 ALDH1A1 (0.40) CYP2C9ALDH1A1FLT1FLT4KDR
SCHEMBL3993365 0.69 GSTO1 (0.42) KMT2AALDH1A1
SCHEMBL5125870 0.69 HTT (0.43) TSHRPOLBGAAALDH1A1TDP1
SCHEMBL4469024 0.68 ALDH1A1 (0.42) CYP1A2GAAALDH1A1FLT1FLT4
SCHEMBL5126630 0.66 FABP4 (0.50) SMN1; SMN2POLBSLC2A1MAPK1
SCHEMBL211976 0.66 ALDH1A1 (0.43) KMT2APOLBALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606288-B1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN FOURNIER LAB SA (FR) 2009-06-03 EP disclosed
EP-1606288-A1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN LABORATOIRES FOURNIER S.A. (FR) 2005-12-21 EP disclosed
WO-2004087700-A1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN LABORATOIRES FOURNIER S.A. (FR) 2004-10-14 WO disclosed