SCHEMBL9979554

SCHEMBL9979554

O=C1c2cccc(CBr)c2CN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 4/20 0.43
CBLB Q13191 14/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL9979557 0.87 UGCG (0.45) UGCGCBLBPTGS1PTGS2
SCHEMBL9979474 0.84 UGCG (0.41) UGCGCBLB
SCHEMBL9979484 0.84 UGCG (0.43) UGCGCBLB
SCHEMBL9979599 0.83 NPC1 (0.55) UGCGCBLB
SCHEMBL9979553 0.83 UGCG (0.43) UGCGCBLBPTGS1PTGS2
SCHEMBL9979600 0.83 UGCG (0.42) UGCGCBLB
SCHEMBL9979551 0.80 UGCG (0.45) UGCGCBLBPTGS1PTGS2
SCHEMBL9979629 0.75 PPARD (0.41) UGCGCBLB
SCHEMBL22291931 0.74 NPC1 (0.68) PTGS1PTGS2
SCHEMBL9979627 0.73 UGCG (0.45) UGCGCBLB

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
WO-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed