SCHEMBL8711112

SCHEMBL8711112

CCOc1cc(-n2cnc3cccc(C(=O)OC)c32)ccc1-c1ccccc1-c1noc(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.44
AGTR1 P30556 2/20 0.38
FGFR1 P11362 3/20 0.36
SRC P12931 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
BTK Q06187 1/20 0.34

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
SCHEMBL8359535 0.86 FGFR1 (0.36) AGTR2FGFR1SRCBTK
SCHEMBL8357506 0.84 FGFR1 (0.36) AGTR2FGFR1SRCBTK
SCHEMBL8421706 0.84 FGFR1 (0.37) FGFR1SRC
SCHEMBL8505059 0.79 AGTR2 (0.45) AGTR2AGTR1LTB4R2
SCHEMBL8419025 0.77 FGFR1 (0.36) FGFR1SRC
SCHEMBL8504867 0.77 AGTR2 (0.43) AGTR2AGTR1LTB4R2
SCHEMBL8359335 0.77 PLA2G2A (0.36) AGTR2AGTR1FGFR1SRC
SCHEMBL8361978 0.77 PLA2G2A (0.36) AGTR2AGTR1FGFR1SRC
SCHEMBL8587857 0.77 FGFR1 (0.36) FGFR1SRC
SCHEMBL8635495 0.77 FGFR1 (0.42) FGFR1SRC

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-5750551-A ANGIOTENSIN INHIBITORS, BENZIMIDAZOLE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US claimed