SCHEMBL4015830

SCHEMBL4015830

CCCc1nc(C)c(Br)c(=O)n1Cc1ccc(-c2ccccc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
AGTR1 P30556 3/20 0.41
AGTR2 P50052 3/20 0.41
PPARG P37231 1/20 0.39
TP53 P04637 1/20 0.39
PTGES O14684 2/20 0.38
MAPK14 Q16539 1/20 0.38
P2RX7 Q99572 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1890409 0.85 PPARG (0.46) POLBAGTR1AGTR2PPARGMAPK14
SCHEMBL4015825 0.81 PPARG (0.39) AGTR1PPARG
SCHEMBL1890240 0.80 MAPK14 (0.42) AGTR1AGTR2PPARGMAPK14
SCHEMBL1892153 0.75 PPARG (0.46) AGTR1AGTR2PPARGMAPK14
SCHEMBL4307218 0.74 KDM4E (0.41) POLBPPARGMAPK14LMNA
SCHEMBL2842286 0.71 AGTR1 (0.54) AGTR1
SCHEMBL4011554 0.71 PPARG (0.46) POLBAGTR1AGTR2PPARGMAPK14
SCHEMBL4011289 0.70 PPARG (0.47) AGTR1PPARGMAPK14
SCHEMBL458899 0.69 RARB (0.41) MAPT
SCHEMBL1886369 0.69 PPARG (0.64) AGTR1AGTR2PPARG

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