SCHEMBL696472

SCHEMBL696472

FC(F)(F)c1ccc(-c2ccc3ccsc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.44
PTPRC P08575 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
CASP3 P42574 1/20 0.38
DYRK1A Q13627 1/20 0.38
AGXT P21549 1/20 0.37
SLC6A2 P23975 1/20 0.37
P2RY14 Q15391 1/20 0.37
MAOB P27338 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 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
SCHEMBL161509 0.85 PTPRC (0.45) PTPRCPTPN6PTPN11PTPN22DYRK1A
SCHEMBL13742552 0.82 DYRK1A (0.48) DYRK1ASLC6A2CA12CA2
SCHEMBL22389400 0.78 CA12 (0.42) KIF11CASP3SLC6A2CA12CA2
SCHEMBL13472079 0.77 CA12 (0.45) DYRK1ACA12CA2
SCHEMBL26548146 0.76 KIF11 (0.58) KIF11AGXTSLC6A2P2RY14MAOB
SCHEMBL26548524 0.76 KIF11 (0.58) KIF11AGXTSLC6A2P2RY14MAOB
SCHEMBL23555372 0.76 CA2 (0.49) DYRK1ACA12CA2
SCHEMBL8338224 0.76 CA2 (0.49) DYRK1ACA12CA2
SCHEMBL26548665 0.74 KIF11 (0.56) KIF11AGXTSLC6A2P2RY14MAOB
SCHEMBL26549008 0.74 KIF11 (0.56) KIF11AGXTSLC6A2P2RY14MAOB

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-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed