SCHEMBL3382329

SCHEMBL3382329

NC(=O)C1CCSC(C(N)=O)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16112201 0.78 KDM4E (0.32) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL1260199 0.76
SCHEMBL28604731 0.71 GABRR1 (0.37) CYP2D6SMN1; SMN2
SCHEMBL15542332 0.70 KDM4E (0.42) NOS2KDM4EMAPTKMT2AATM
SCHEMBL813890 0.70 KDM4E (0.42) NOS2KDM4EMAPTKMT2AATM
SCHEMBL4286200 0.70
SCHEMBL2034681 0.69
SCHEMBL1982532 0.68
SCHEMBL31022855 0.68 KDM4E (0.41) NOS2KDM4EMAPTKMT2AATM
SCHEMBL4730170 0.67

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-1878725-B1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2010-11-24 EP disclosed