SCHEMBL4010717

SCHEMBL4010717

CCSC1N=C(C)C(Cc2ccccc2)=CN1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
LTB4R2 Q9NPC1 1/20 0.45
SLC33A1 O00400 2/20 0.44

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
SCHEMBL4010716 0.73 PPARG (0.49) PPARGSLC33A1
SCHEMBL4014474 0.72 LTB4R2 (0.49) PPARGLTB4R2
SCHEMBL1885484 0.72 PPARG (0.63) PPARGSLC33A1
SCHEMBL4011114 0.72 PPARG (0.48) PPARGSLC33A1
Bromide SCHEMBL1898165 0.71 PPARG (0.62) PPARGSLC33A1
SCHEMBL1891965 0.71 PPARG (0.62) PPARGSLC33A1
Hydrochloric Acid SCHEMBL1889532 0.71 PPARG (0.62) PPARGSLC33A1
SCHEMBL1889449 0.71 PPARG (0.62) PPARGSLC33A1
SCHEMBL4305731 0.71 PPARG (0.49) PPARG
SCHEMBL12348453 0.71 LTB4R2 (0.58) LTB4R2SLC33A1

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-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed