SCHEMBL2606444

SCHEMBL2606444

CS(=O)(=O)NC1CCC(NC2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA7 P43166 3/20 0.54
CA14 Q9ULX7 3/20 0.54
CA1 P00915 2/20 0.54
ALDH1A1 P00352 6/20 0.52
HSD17B10 Q99714 1/20 0.52
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.48
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
MAPK1 P28482 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
SCHEMBL14473488 0.91 CA12 (0.64) CA12CA7CA14CA1ALDH1A1
SCHEMBL19958066 0.91 CA12 (0.64) CA12CA7CA14CA1ALDH1A1
SCHEMBL15632531 0.91 CA12 (0.64) CA12CA7CA14CA1ALDH1A1
SCHEMBL15700804 0.91 CA12 (0.64) CA12CA7CA14CA1ALDH1A1
SCHEMBL12845702 0.91 CA12 (0.64) CA12CA7CA14CA1ALDH1A1
SCHEMBL171310 0.91 CA12 (0.64) CA12CA7CA14CA1ALDH1A1
SCHEMBL8392362 0.91 CA12 (0.64) CA12CA7CA14CA1ALDH1A1
SCHEMBL18814195 0.91 CA12 (0.64) CA12CA7CA14CA1ALDH1A1
SCHEMBL1679214 0.89 CA12 (0.59) CA12CA7CA14CA1ALDH1A1
SCHEMBL1434773 0.84

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-1723128-B1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2012-11-07 EP disclosed
EP-2444397-A1 Heteroaryl-ureas and their use as glucokinase activators Novo Nordisk A/S (DK) 2012-04-25 EP disclosed
WO-2005066145-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-07-21 WO disclosed