SCHEMBL8402372

SCHEMBL8402372

CCc1ccccc1N1CC(CC(=O)O)(c2ccc(C=NN)cc2)N(C(N)=O)c2ccccc2C1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
CDC25A P30304 9/20 0.31

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
SCHEMBL8519840 0.75 MAPT (0.40) L3MBTL1
SCHEMBL8518520 0.71 MAPT (0.39)
SCHEMBL8398754 0.63 S1PR1 (0.32)
SCHEMBL8401237 0.62 CACNA1G (0.35)
SCHEMBL7395503 0.62 ALDH1A1 (0.37)
SCHEMBL8518894 0.60 BRD4 (0.31)
SCHEMBL8402387 0.59 MAPT (0.37) L3MBTL1
SCHEMBL20335636 0.57 TRPA1 (0.41)
SCHEMBL8523438 0.57 PTGDR2 (0.36)
SCHEMBL8475813 0.56 MEN1 (0.48)

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-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed