SCHEMBL11512950

SCHEMBL11512950

N#CC(c1nc2ccccc2s1)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ MAPK9 P45984 7/20 0.46
▸ MAPK10 P53779 7/20 0.46
▸ THRB P10828 2/20 0.45
▸ HPGD P15428 2/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ APP P05067 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43

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
SCHEMBL9455629 0.74 MAPT (0.57) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL11516409 0.73 LOXL2 (0.57) MAPTMAPK9MAPK10THRBHPGD
SCHEMBL11515131 0.73 MAPK9 (0.55) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL21694384 0.73 MAPK9 (0.48) MAPK9MAPK10THRBHPGDALOX5
SCHEMBL11514240 0.71 MAPK9 (0.52) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL7400010 0.71 HPGD (0.59) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL21802341 0.71 ALOX5 (0.57) ALDH1A1MEN1KMT2AMAPK9MAPK10
SCHEMBL5109312 0.70 ALDH1A1 (0.53) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL15256920 0.69 GAA (0.46) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL7396493 0.69 MAPK10 (0.64) ALDH1A1MEN1MAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4146712-A PROCESS FOR THE MANUFACTURE OF COUMARIN DYES CIBA-GEIGY CORPORATION (US) 1979-03-27 — — US disclosed
US-4064136-A FROM A NITRILE, AN ALCOHOL AND ORTHO-SUBSTITUTED AROMATIC AMINE CIBA-GEIGY AG (CH) 1977-12-20 — — US disclosed
Send feedback