SCHEMBL9819080

SCHEMBL9819080

CCN(CC)S(=O)(=O)c1cc2cc(OC(=O)O)oc2c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 7/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.37
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ALDH1A1 P00352 5/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 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
SCHEMBL9819118 0.86 ALDH1A1 (0.33) SMN1; SMN2KMT2ATSHRLMNAMEN1
SCHEMBL9819076 0.81 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ATSHRCYP1A2CYP2C19
SCHEMBL9819164 0.80 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ATSHRCYP1A2CYP2C19
SCHEMBL11670492 0.65 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ATSHRCYP1A2CYP2C19
SCHEMBL9819158 0.63 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ATSHRCYP1A2CYP2C19
SCHEMBL5237128 0.60 MAPT (0.37) KMT2ATSHRCYP2C19LMNAKDM4E
SCHEMBL4716499 0.60 SMN1; SMN2 (0.62) SMN1; SMN2KMT2ATSHRCYP1A2CYP2C19
SCHEMBL11688661 0.59 MCOLN3 (0.47) SMN1; SMN2KMT2ATSHRCYP1A2CYP2C19
SCHEMBL6241755 0.59 ADORA3 (0.55) KMT2ACYP1A2CYP2C19MEN1POLB
SCHEMBL11597649 0.59 SMN1; SMN2 (1.00) SMN1; SMN2KMT2ATSHRCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0312338-B1 SULFAMOYL-2-BENZOFURANCARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-12-27 EP claimed