SCHEMBL28782015

SCHEMBL28782015

CCCCNC=CCS(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2cc(C#N)ccc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
CDC7 O00311 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL965767 0.88 PPARG (0.38) FFAR4CDC7IRAK4
SCHEMBL965770 0.88 PPARG (0.38) FFAR4CDC7IRAK4
SCHEMBL27772698 0.88 NPY5R (0.38) CDC7IRAK4
SCHEMBL962196 0.87 CXCR2 (0.36) FFAR4USP2ALDH1A1POLBMAPT
SCHEMBL962198 0.87 CXCR2 (0.36) FFAR4USP2ALDH1A1POLBMAPT
SCHEMBL28781981 0.84 HDAC3 (0.35) MAPT
SCHEMBL28782016 0.83 IRAK4 (0.31) FFAR4IRAK4
SCHEMBL5127599 0.83 CDC7 (0.35) FFAR4CDC7IRAK4
SCHEMBL5127585 0.83 CDC7 (0.35) FFAR4CDC7IRAK4
SCHEMBL27772660 0.83 PPARG (0.38) CDC7

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
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN disclosed