SCHEMBL4672890

SCHEMBL4672890

NC(=O)C1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
MAPK1 P28482 1/20 0.64
HTT P42858 1/20 0.64
MAPT P10636 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 2/20 0.52
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
OPRK1 P41145 2/20 0.47
RHOA P61586 1/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL3434186 0.86 MAPT (0.60) ALDH1A1MAPK1HTTMAPTL3MBTL1
SCHEMBL1093120 0.80 ALDH1A1 (0.97) ALDH1A1MAPK1HTTMAPTL3MBTL1
SCHEMBL4673879 0.80 ALDH1A1 (0.63) ALDH1A1MAPK1HTTMAPTL3MBTL1
SCHEMBL2078675 0.79 MAPT (0.72) ALDH1A1MAPK1MAPTL3MBTL1POLB
SCHEMBL4676953 0.78 ALDH1A1 (1.00) ALDH1A1MAPK1HTTMAPTPOLB
SCHEMBL4679344 0.78 ALDH1A1 (1.00) ALDH1A1MAPK1HTTMAPTPOLB
SCHEMBL594097 0.77 L3MBTL1 (0.69) ALDH1A1MAPK1MAPTL3MBTL1POLB
SCHEMBL9684591 0.76 ALDH1A1 (0.74) ALDH1A1MAPK1HTTMAPTPOLB
SCHEMBL4675601 0.76 ALDH1A1 (0.74) ALDH1A1MAPK1HTTMAPTL3MBTL1
SCHEMBL1981534 0.76 ALDH1A1 (0.74) ALDH1A1MAPK1HTTMAPTL3MBTL1

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