SCHEMBL4673014

SCHEMBL4673014

CCN1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
MAPK1 P28482 1/20 0.68
HTT P42858 1/20 0.68
MAPT P10636 7/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 2/20 0.43
WDR5 P61964 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL1981534 0.85 ALDH1A1 (0.74) ALDH1A1MAPK1HTTMAPTLMNA
SCHEMBL1093120 0.83 ALDH1A1 (0.97) ALDH1A1MAPK1HTTMAPTLMNA
SCHEMBL4676953 0.81 ALDH1A1 (1.00) ALDH1A1MAPK1HTTMAPTLMNA
SCHEMBL4679344 0.81 ALDH1A1 (1.00) ALDH1A1MAPK1HTTMAPTLMNA
SCHEMBL9974730 0.80 ALDH1A1 (0.70) ALDH1A1MAPK1HTTMAPTLMNA
SCHEMBL9684591 0.79 ALDH1A1 (0.74) ALDH1A1MAPK1HTTMAPTLMNA
SCHEMBL4675601 0.79 ALDH1A1 (0.74) ALDH1A1MAPK1HTTMAPTLMNA
SCHEMBL6948430 0.76 MAPK1 (0.68) ALDH1A1MAPK1HTTMAPTLMNA
SCHEMBL801074 0.75 ALDH1A1 (0.59) ALDH1A1MAPK1HTTMAPTLMNA
SCHEMBL1682842 0.75 MAPT (0.68) ALDH1A1MAPK1MAPTLMNAL3MBTL1

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