SCHEMBL27993136

SCHEMBL27993136

CCS(=O)(=O)c1cc[c]cc1CN

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.39
GAA P10253 1/20 0.32
LOX P28300 1/20 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
SCHEMBL6198795 0.79 PSIP1 (0.37) PSIP1GAA
SCHEMBL27765773 0.76 PSIP1 (0.34) PSIP1GAA
SCHEMBL27274084 0.75
SCHEMBL27260164 0.75 TAAR1 (0.31)
SCHEMBL4598904 0.73 PSIP1 (0.45) PSIP1GAALOX
Hydrochloric Acid SCHEMBL7370334 0.72 LOXL2 (0.44) PSIP1GAALOX
SCHEMBL27566617 0.71 SOAT1 (0.34)
SCHEMBL62016 0.70
SCHEMBL27668934 0.69 PNMT (0.32)
SCHEMBL15358096 0.69 PSIP1 (0.40) PSIP1GAA

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
CN-104379568-A Quinazolinedione derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 CN disclosed