SCHEMBL5758404

SCHEMBL5758404

Nc1cnn2ccc(-c3cc[n+](CCO)cc3)cc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.34
EPHB3 P54753 1/20 0.33
CHKA P35790 3/20 0.32
TERT O14746 1/20 0.32
CAMKK1 Q8N5S9 1/20 0.31
CAMKK2 Q96RR4 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 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
SCHEMBL5759500 0.80 SCN5A (0.37) SCN5AEPHB3CAMKK1CAMKK2
SCHEMBL5757523 0.75 AAK1 (0.41) SCN5AEPHB3
SCHEMBL33784 0.71 KDM4E (0.34)
SCHEMBL10593608 0.68 MEN1 (0.46) CHKATERTMAOAMAOBGRIN1
SCHEMBL33995 0.68 SMPD3 (0.38)
SCHEMBL9942312 0.68 SMPD3 (0.31)
SCHEMBL33849 0.67 SMPD3 (0.40)
Hydrochloric Acid SCHEMBL9243920 0.66 TERT (0.49) CHKATERTMAOAMAOBGRIN1
Bromide SCHEMBL16339212 0.66 CHKA (0.45) CHKATERTMAOAMAOBGRIN1
Iodide SCHEMBL22491540 0.66 CHKA (0.49) CHKATERTMAOAMAOBGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021058595-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO claimed
EP-1233743-B1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES OREAL (FR) 2006-02-15 EP claimed
US-6730789-B1 RADIATION RESISTANCE, WEATHERPROOF, WASHFASTNESS, COLORFASTNESS; HAIR DYES L'OREAL S.A. (FR) 2004-05-04 US claimed
EP-1233743-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES L'OREAL (FR) 2002-08-28 EP claimed
WO-2001035917-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES L'OREAL (FR) 2001-05-25 WO claimed
WO-2021058595-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
WO-2021058595-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
EP-1233743-B1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES OREAL (FR) 2006-02-15 EP disclosed
US-6730789-B1 RADIATION RESISTANCE, WEATHERPROOF, WASHFASTNESS, COLORFASTNESS; HAIR DYES L'OREAL S.A. (FR) 2004-05-04 US disclosed
EP-1233743-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES L'OREAL (FR) 2002-08-28 EP disclosed
WO-2001035917-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES L'OREAL (FR) 2001-05-25 WO disclosed