SCHEMBL2659976

SCHEMBL2659976

CCCCCCNN1CCS(=O)(=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.56
GNAO1 P09471 2/20 0.56
GNAI1 P63096 2/20 0.56
EPHX1 P07099 8/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
PPARA Q07869 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CASP2 P42575 1/20 0.32
DPP4 P27487 2/20 0.32

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
SCHEMBL28300170 0.82 GNAI3 (0.70) GNAI3GNAO1GNAI1EPHX1ADH1B
SCHEMBL8412464 0.82 GNAI3 (0.70) GNAI3GNAO1GNAI1EPHX1ADH1B
SCHEMBL28627512 0.82 GNAI3 (0.70) GNAI3GNAO1GNAI1EPHX1ADH1B
SCHEMBL28641324 0.82 GNAI3 (0.70) GNAI3GNAO1GNAI1EPHX1ADH1B
SCHEMBL28632179 0.82 GNAI3 (0.70) GNAI3GNAO1GNAI1EPHX1ADH1B
SCHEMBL8665131 0.80 GNAI3 (0.67) GNAI3GNAO1GNAI1EPHX1ADH1B
SCHEMBL8408732 0.78 GNAI3 (0.66) GNAI3GNAO1GNAI1EPHX1ADH1B
SCHEMBL9598276 0.78 GNAI3 (0.66) GNAI3GNAO1GNAI1EPHX1ADH1B
SCHEMBL6391709 0.78 GNAI3 (0.66) GNAI3GNAO1GNAI1EPHX1ADH1B
SCHEMBL11179091 0.78 GNAI3 (0.66) GNAI3GNAO1GNAI1EPHX1ADH1B

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-1723128-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2006-11-22 EP disclosed
WO-2005066145-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-07-21 WO disclosed