SCHEMBL4672777

SCHEMBL4672777

CC1CCC(C)N1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ MAPT P10636 4/20 0.42
▸ OPRK1 P41145 3/20 0.41
▸ GAA P10253 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ AHR P35869 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CREBBP Q92793 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4679188 0.81 HTT (0.59) ALDH1A1MAPK1HTTMAPTOPRK1
SCHEMBL4680087 0.80 HTT (0.61) ALDH1A1MAPK1HTTMAPTOPRK1
SCHEMBL4673638 0.77 ALDH1A1 (0.62) ALDH1A1MAPK1HTTMAPTOPRK1
SCHEMBL1093120 0.74 ALDH1A1 (0.97) ALDH1A1MAPK1HTTMAPTOPRK1
SCHEMBL1981534 0.73 ALDH1A1 (0.74) ALDH1A1MAPK1HTTMAPTFAAH
SCHEMBL4679344 0.73 ALDH1A1 (1.00) ALDH1A1MAPK1HTTMAPTOPRK1
SCHEMBL4676953 0.73 ALDH1A1 (1.00) ALDH1A1MAPK1HTTMAPTOPRK1
SCHEMBL4673879 0.72 ALDH1A1 (0.63) ALDH1A1MAPK1HTTMAPTOPRK1
SCHEMBL9974730 0.71 ALDH1A1 (0.70) ALDH1A1MAPK1HTTMAPTOPRK1
SCHEMBL9684591 0.71 ALDH1A1 (0.74) ALDH1A1MAPK1HTTMAPTGAA

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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