SCHEMBL2299303

SCHEMBL2299303

O=C1N=Nc2cnccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CDC25B P30305 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.34
TP53 P04637 3/20 0.34
CYP3A4 P08684 3/20 0.34
MAPT P10636 3/20 0.34
CASP1 P29466 3/20 0.34
BLM P54132 3/20 0.34
CASP7 P55210 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
KDM4E B2RXH2 2/20 0.33
RPS6KA3 P51812 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SIRT3 Q9NTG7 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1665290 0.82 MAOA (0.43) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL6805580 0.69 CDC25B (0.39) CDC25B
SCHEMBL94097 0.69 MEN1 (0.41) MAOAMAOBCDC25BSMN1; SMN2MAPT
SCHEMBL7232074 0.67 MAOA (0.52) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL31289313 0.66 MAOA (0.34) MAOAMAOBCDC25B
SCHEMBL30956639 0.65 MAOA (0.70) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL8417659 0.65 MAOA (0.86) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL20618218 0.65 MAOA (0.77) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL31112247 0.65 MAOA (0.77) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL30616365 0.65 MAOA (0.86) MAOAMAOBCDC25BSMN1; SMN2TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536721-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2012-12-26 EP claimed
WO-2011101805-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 WO claimed
WO-2011101805-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 WO disclosed
EP-0781816-B1 Dyes for use in diverse applications AGFA GEVAERT NV (BE) 1999-06-16 EP disclosed
EP-0781816-A1 New dyes for use in diverse applications AGFA-GEVAERT N.V. (BE) 1997-07-02 EP disclosed