SCHEMBL4676953

SCHEMBL4676953

O=[N+]([O-])c1cnc(N2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
MAPK1 P28482 4/20 1.00
HTT P42858 1/20 1.00
CYP1A2 P05177 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 2/20 0.59
MAPT P10636 7/20 0.55
LMNA P02545 2/20 0.55
ALOX12 P18054 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 1/20 0.55
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
OPRK1 P41145 2/20 0.46
HPGD P15428 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
SCHEMBL4679344 1.00 ALDH1A1 (1.00) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL1093120 0.98 ALDH1A1 (0.97) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL29177261 0.86 ALDH1A1 (0.76) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL29739740 0.86 ALDH1A1 (0.76) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL9684591 0.85 ALDH1A1 (0.74) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL1981534 0.85 ALDH1A1 (0.74) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL4675601 0.85 ALDH1A1 (0.74) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL19649863 0.84 ALDH1A1 (0.73) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL22587539 0.83 ALDH1A1 (0.71) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL2711110 0.83 ALDH1A1 (0.71) 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