SCHEMBL16199730

SCHEMBL16199730

C=Cc1ccc(CN)cc1N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.39
HRH3 Q9Y5N1 1/20 0.36
ROCK1 Q13464 1/20 0.34
ABAT P80404 1/20 0.33
PNMT P11086 1/20 0.33
ENPP2 Q13822 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
CYP2A6 P11509 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
CSNK2A1 P68400 2/20 0.32
LOX P28300 1/20 0.31
LOXL3 P58215 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL31566099 0.82
SCHEMBL17196021 0.79 LOXL2 (0.39) LOXL2HRH3ROCK1ABATPNMT
SCHEMBL9156124 0.78 HRH3 (0.34) LOXL2HRH3ABATPNMTENPP2
SCHEMBL20194342 0.75 CSNK2A1 (0.41) LOXL2HRH3PNMTGAAPKM
SCHEMBL10608097 0.73 XDH (0.38) LOXL2HRH3ROCK1GAA
SCHEMBL3680895 0.73 CASP1 (0.42) HRH3
SCHEMBL13385346 0.72 LOXL2 (0.50) LOXL2HRH3ROCK1ABATPNMT
SCHEMBL4036805 0.71 ALDH1A1 (0.46) PKM
SCHEMBL23482122 0.71 NOS1 (0.33) LOXL2ABATENPP2CSNK2A1
SCHEMBL16199733 0.71 LOXL2 (0.46) LOXL2

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
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed