SCHEMBL10433765

SCHEMBL10433765

Nc1nc(NCc2ccc3ccccc3c2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.62
KDM1A O60341 3/20 0.57
RCOR1 Q9UKL0 3/20 0.57
SMOX Q9NWM0 3/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
MC4R P32245 2/20 0.47
MC5R P33032 2/20 0.47
FFAR1 O14842 1/20 0.46
ROCK1 Q13464 1/20 0.46
MC3R P41968 1/20 0.45

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
SCHEMBL17742100 0.82 GAA (0.61) MAOAKDM1ARCOR1SMOXGAA
SCHEMBL17742091 0.78 MAOA (0.47) MAOASMOXGAAGFER
SCHEMBL17741901 0.77 APP (0.56) MAOAKDM1ARCOR1SMOXGAA
SCHEMBL17741762 0.77 MAOA (0.53) MAOAKDM1ARCOR1SMOXGAA
SCHEMBL7397967 0.77 GAA (0.62) MAOAKDM1ARCOR1SMOXGAA
SCHEMBL17742132 0.77 APP (0.56) MAOAKDM1ARCOR1SMOXGAA
SCHEMBL17742131 0.77 ADORA2A (0.58) MAOAKDM1ARCOR1SMOX
SCHEMBL15606396 0.76 GAA (0.68) MAOAGAAGFER
SCHEMBL17742105 0.76 MAOA (0.60) MAOAKDM1ARCOR1SMOXGAA
SCHEMBL17731498 0.75 MEN1 (0.55) MAOASMOX

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-0381439-A1 Triazole derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1990-08-08 EP disclosed