SCHEMBL4675601

SCHEMBL4675601

O=[N+]([O-])c1cnc(N2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
MAPK1 P28482 4/20 0.74
HTT P42858 2/20 0.74
CYP1A2 P05177 3/20 0.59
CYP2C9 P11712 3/20 0.59
HPGD P15428 1/20 0.57
MAPT P10636 10/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 4/20 0.48
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL2713198 0.87 CYP1A2 (0.61) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL1093120 0.86 ALDH1A1 (0.97) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL4679344 0.85 ALDH1A1 (1.00) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL4676953 0.85 ALDH1A1 (1.00) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL2145143 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL2713437 0.84 CYP1A2 (0.58) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL3544112 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL2711422 0.84 CYP1A2 (0.58) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL3363772 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL9684591 0.82 ALDH1A1 (0.74) ALDH1A1MAPK1HTTCYP1A2CYP2C9

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