SCHEMBL17849036

SCHEMBL17849036

CC(N)Nc1ccc(OC(C)O)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.49
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL11142328 0.85 HCAR3 (0.56) HCAR3ALDH1A1MAPTNPC1MAPK1
SCHEMBL2415389 0.81 ALDH1A1 (0.53) HCAR3ALDH1A1MAPTNPC1RAB9A
SCHEMBL9233915 0.79 ALDH1A1 (0.53) HCAR3ALDH1A1MAPTNPC1RAB9A
SCHEMBL28558294 0.79 HCAR3 (0.51) HCAR3ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL1173707 0.79 TSHR (0.51) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL3322365 0.76 MAPT (0.56) ALDH1A1MAPTNPC1MAPK1RAB9A
SCHEMBL126162 0.76 MAPT (0.46) HCAR3ALDH1A1MAPTNPC1MAPK1
SCHEMBL9652296 0.76 MAPT (0.56) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL124038 0.73 AKR1C3 (0.51) ALDH1A1MAPTNPC1MAPK1RAB9A
SCHEMBL16868842 0.73 DCTPP1 (0.49) HCAR3ALDH1A1MAPTMAPK1SMN1; SMN2

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-3393441-A1 DYEING COMPOSITION COMPRISING A DIRECT DYE OF TRIARYLMETHANE STRUCTURE, AND A SILICONE L'OREAL (FR) 2018-10-31 EP disclosed
EP-3233855-A1 USE FOR DYEING KERATIN FIBRES OF A COMPOUND OF AZOMETHINE TYPE BEARING TWO PYRAZOLOPYRIDINE UNITS L'OREAL (FR) 2017-10-25 EP disclosed
WO-2017108828-A1 DYEING COMPOSITION COMPRISING A DIRECT DYE OF TRIARYLMETHANE STRUCTURE, AND A SILICONE L'OREAL (FR) 2017-06-29 WO disclosed
WO-2016097198-A1 USE FOR DYEING KERATIN FIBRES OF A COMPOUND OF AZOMETHINE TYPE BEARING TWO PYRAZOLOPYRIDINE UNITS L'OREAL (FR) 2016-06-23 WO disclosed