SCHEMBL2829147

SCHEMBL2829147

O=CN(c1ncc[nH]1)c1ncc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MTOR P42345 1/20 0.30
ADK P55263 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TLK2 Q86UE8 1/20 0.30

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
SCHEMBL5775648 0.83 TAAR1 (0.41) ALDH1A1SMN1; SMN2HTR1ATAAR1MTOR
SCHEMBL28322497 0.78
SCHEMBL6591414 0.78
SCHEMBL19209978 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTR1ATAAR1MTOR
SCHEMBL188086 0.69
SCHEMBL16653081 0.69 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTR1ATAAR1MTOR
SCHEMBL31169778 0.67 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MTORADKNISCH
Dimethylformamide SCHEMBL27786820 0.65 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TAAR1NISCH
SCHEMBL1998584 0.65
SCHEMBL7086867 0.65 CSNK1A1 (0.39) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015036000-A1 ENZYME SUBSTRATE Københavns Universitet (DK) 2015-03-19 WO disclosed
WO-2012175092-A1 POLYMER ELECTROLYTE MEMBRANE TEKNOLOGISK INSTITUT (DK) 2012-12-27 WO disclosed
WO-2010069312-A1 METHOD OF COATING A HEARING AID COMPONENT AND A HEARING AID WIDEX A/S (DK) 2010-06-24 WO disclosed