SCHEMBL2849044

SCHEMBL2849044

CCC(CO)Nc1ccc(NCCO)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HCAR3 P49019 6/20 0.48
MAPT P10636 8/20 0.47
PKM P14618 3/20 0.46
POLB P06746 4/20 0.46
NPC1 O15118 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GALR3 O60755 1/20 0.43
KAT2B Q92831 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Hydrochloric Acid SCHEMBL6142109 0.99 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL8799847 0.92 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL3908874 0.89 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HCAR3MAPT
Hydrochloric Acid SCHEMBL6142292 0.85 HCAR3 (0.46) ALDH1A1HCAR3MAPTPKMPOLB
SCHEMBL8641030 0.84 HCAR3 (0.49) ALDH1A1TSHRTDP1HCAR3MAPT
Hydrochloric Acid SCHEMBL8645115 0.84 HCAR3 (0.46) ALDH1A1TSHRTDP1HCAR3MAPT
Hydrochloric Acid SCHEMBL8641202 0.83 HCAR3 (0.48) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL9748805 0.82 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL127370 0.81 ALDH1A1 (0.68) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL29392416 0.81 ALDH1A1 (0.68) ALDH1A1TSHRTDP1HCAR3MAPT

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
WO-2010142776-A1 N-OXIDIZED AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM SECONDARY, N-ALKYLAMINATED PARA-PHENYLENEDIAMINES, METHOD OF HAIR DYEING USING THESE DYES L'OREAL (FR) 2010-12-16 WO disclosed
WO-2010142777-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM SECONDARY, N-ALKYLAMINATED PARA-PHENYLENEDIAMINES, METHOD OF HAIR DYEING USING THESE DYES L'OREAL (FR) 2010-12-16 WO disclosed
EP-2076238-A1 COMPOSITION FOR THE DIRECT DYEING OF KERATINOUS FIBRES COMPRISING AT LEAST ONE AMMONIUM SALT OF 18MEA AND AT LEAST ONE DIRECT DYE, COLOURING METHOD STARTING FROM THE COMPOSITION L'Oreal (FR) 2009-07-08 EP disclosed
WO-2008049768-A1 COMPOSITION FOR THE DIRECT DYEING OF KERATINOUS FIBRES COMPRISING AT LEAST ONE AMMONIUM SALT OF 18MEA AND AT LEAST ONE DIRECT DYE, COLOURING METHOD STARTING FROM THE COMPOSITION L'OREAL (FR) 2008-05-02 WO disclosed