SCHEMBL4676435

SCHEMBL4676435

Nc1cnc(N2CCCCC2C(=O)O)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
OPRK1 P41145 1/20 0.40
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
BRS3 P32247 1/20 0.38
MAPT P10636 1/20 0.38
MDM2 Q00987 4/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
NEK2 P51955 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
GUCY1B2 O75343 2/20 0.35
GUCY1A2 P33402 2/20 0.35
GUCY1A1 Q02108 2/20 0.35
GUCY1B1 Q02153 2/20 0.35
PLAU P00749 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
SCHEMBL4677592 0.99 SMN1; SMN2 (0.45) SMN1; SMN2OPRK1HSD17B10KMT2ABRS3
SCHEMBL4676449 0.96 SMN1; SMN2 (0.47) SMN1; SMN2OPRK1HSD17B10KMT2AMAPT
SCHEMBL4676456 0.96 SMN1; SMN2 (0.47) SMN1; SMN2OPRK1HSD17B10KMT2AMAPT
SCHEMBL4679153 0.79 OPRK1 (0.38) SMN1; SMN2OPRK1MDM2KEAP1NFE2L2
SCHEMBL4674125 0.77 HTT (0.47) SMN1; SMN2OPRK1KMT2AALDH1A1HTT
SCHEMBL4672703 0.77 OPRK1 (0.39) OPRK1MDM2HTT
SCHEMBL4679581 0.77 CUL4A (0.44) HSD17B10MAPTALDH1A1
Hydrochloric Acid SCHEMBL5387380 0.76 HTT (0.46) SMN1; SMN2OPRK1KMT2AALDH1A1HTT
SCHEMBL4673206 0.75 NPY5R (0.41) OPRK1
SCHEMBL4676746 0.74 OPRK1 (0.40) OPRK1HTT

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 5 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-1459732-A1 Dye composition comprising at least one heterocyclic oxidation base and at least one 2,3,5-triaminopyridine as coupler L'OREAL (FR) 2004-09-22 EP 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