SCHEMBL4673093

SCHEMBL4673093

O=[N+]([O-])c1cnc(N2CCCCC2CCO)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ CUL4A Q13619 1/20 0.46
▸ OPRK1 P41145 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ POLB P06746 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL4680087 0.80 HTT (0.61) ALDH1A1MAPK1HTTOPRK1SMN1; SMN2
SCHEMBL4679188 0.76 HTT (0.59) ALDH1A1MAPK1HTTOPRK1SMN1; SMN2
SCHEMBL17111542 0.74 CUL4A (0.50) ALDH1A1MAPK1HTTCUL4AOPRK1
SCHEMBL17111487 0.74 CUL4A (0.50) ALDH1A1MAPK1HTTCUL4AOPRK1
SCHEMBL1093120 0.73 ALDH1A1 (0.97) ALDH1A1MAPK1HTTOPRK1MAPT
SCHEMBL5754442 0.73 TXNRD1 (0.47) ALDH1A1MAPK1HTTCUL4ANPY5R
SCHEMBL29512840 0.72 KMT2A (0.46) ALDH1A1MAPK1HTTCUL4ASMN1; SMN2
SCHEMBL3288936 0.72 CDK2 (0.46) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL4676953 0.72 ALDH1A1 (1.00) ALDH1A1MAPK1HTTOPRK1MAPT
SCHEMBL4679344 0.72 ALDH1A1 (1.00) ALDH1A1MAPK1HTTOPRK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457199-B1 Coupling agents having a 2,3,5-triaminopyridine structure and their use for dyeing keratinic fibres OREAL (FR) 2008-05-14 — — EP disclosed
US-7175670-B2 Couplers of 2,3,5-triaminopyridine and use of the same for dyeing keratin fibers L'OREAL S.A. (FR) 2007-02-13 — — US disclosed
US-20050081313-A1 Novel couplers of 2,3,5-triaminopyridine and use of the same for dyeing keratin fibers L'OREAL S.A. (FR) 2005-04-21 — — US disclosed
EP-1457199-A1 Coupling agents having a 2,3,5-triaminopyridine structure and their use for dyeing keratinic fibres L'OREAL (FR) 2004-09-15 — — EP disclosed
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