SCHEMBL650015

SCHEMBL650015

CN(C(=O)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 17/20 0.54
NR1H3 Q13133 2/20 0.41
NR1H2 P55055 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1897899 0.71 MLYCD (0.53) MLYCD
SCHEMBL3589385 0.70 MLYCD (0.48) MLYCD
SCHEMBL647994 0.68 MLYCD (1.00) MLYCD
SCHEMBL1898629 0.67 MLYCD (1.00) MLYCD
SCHEMBL16296476 0.66 MLYCD (0.49) MLYCDKDM4EKMT2A
SCHEMBL29123175 0.65 KDM4E (0.82) MLYCDKDM4EKMT2A
SCHEMBL1900136 0.65 MLYCD (0.72) MLYCD
SCHEMBL21437132 0.65 MLYCD (0.51) MLYCDNR1H3NR1H2KDM4EKMT2A
SCHEMBL16296475 0.64 MLYCD (0.48) MLYCDNR1H3NR1H2KDM4EKMT2A
SCHEMBL1897897 0.64 MLYCD (0.65) MLYCD

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
US-8119819-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-02-21 US disclosed