SCHEMBL875529

SCHEMBL875529

O=c1cc(CS(=O)(=O)OC2O[C@H](CO)[C@H](O)[C@H]2O)c2cc(F)c(O)c(F)c2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
CA1 P00915 3/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
MEN1 O00255 3/20 0.38
CA2 P00918 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
CASP1 P29466 4/20 0.36
CASP7 P55210 4/20 0.36
HSD17B10 Q99714 4/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
CYP2C19 P33261 1/20 0.36
AMY1A P0DUB6 1/20 0.36
STAT6 P42226 1/20 0.36
SOST Q9BQB4 1/20 0.36

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
Ribose (Furanose) SCHEMBL15104611 0.82 KMT2A (0.36) KMT2ACA12CA9CA1CA7
Beta-D-Glucose SCHEMBL15104509 0.82 KMT2A (0.37) KMT2ACA12CA9CA1CA7
SCHEMBL15120723 0.78 KMT2A (0.48) KMT2ACA12CA9CA1CA7
SCHEMBL15119699 0.78 KMT2A (0.48) KMT2ACA12CA9CA1CA7
SCHEMBL15104491 0.77 KMT2A (0.58) KMT2ACA12CA9CA1CA7
B-D-Galactose SCHEMBL8563122 0.77 MCL1 (0.42) KMT2ACA12CA9CA1CA7
SCHEMBL875961 0.74 KDM4E (0.39) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL15119693 0.73 KMT2A (0.43) KMT2ACA12CA9CA1CA7
SCHEMBL15120725 0.73 KMT2A (0.43) KMT2ACA12CA9CA1CA7
SCHEMBL8564999 0.73 KDM4E (0.38) KMT2AMEN1KDM4EALDH1A1HPGD

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-2619281-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, FLUOROGENIC SUBSTRATES RESULTING FROM GRAFTING SAID COUMARINS ONTO SUGARS, METHOD FOR PREPARING SAID SUBSTRATES, AND USES THEREOF ETS J. Soufflet (FR) 2013-07-31 EP claimed
WO-2012038614-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, FLUOROGENIC SUBSTRATES RESULTING FROM GRAFTING SAID COUMARINS ONTO SUGARS, METHOD FOR PREPARING SAID SUBSTRATES, AND USES THEREOF ETS J. SOUFFLET (FR) 2012-03-29 WO claimed