SCHEMBL4374575

SCHEMBL4374575

COc1cc([N+](=O)[O-])cc(C(C)O)c1N

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
TDP1 Q9NUW8 2/20 0.46
ERN1 O75460 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.40
POLB P06746 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37

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
SCHEMBL7929928 0.82 HTT (0.67) HTTTDP1ERN1SMN1; SMN2LMNA
SCHEMBL29745600 0.78 HTT (0.58) HTTTDP1ERN1SMN1; SMN2LMNA
SCHEMBL6676325 0.78 SMN1; SMN2 (0.57) HTTTDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL7517823 0.78 HTT (0.58) HTTTDP1ERN1SMN1; SMN2LMNA
SCHEMBL29407238 0.77 HTT (0.66) HTTTDP1ERN1SMN1; SMN2LMNA
SCHEMBL477199 0.77 HTT (0.66) HTTTDP1ERN1SMN1; SMN2LMNA
SCHEMBL31405107 0.76 HTT (0.59) HTTTDP1ERN1SMN1; SMN2LMNA
SCHEMBL29406556 0.76 HTT (0.59) HTTTDP1ERN1LMNAALDH1A1
SCHEMBL11524810 0.76 HTT (0.59) HTTTDP1ERN1LMNAALDH1A1
SCHEMBL5159243 0.76 HTT (0.59) HTTTDP1ERN1SMN1; SMN2LMNA

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-2074986-B1 Process for treating hair fibres using polysiloxane/polyurea OREAL (FR) 2013-05-15 EP disclosed
EP-2074986-A1 Process for treating hair fibres using polysiloxane/polyurea L'Oréal (FR) 2009-07-01 EP disclosed
EP-1935404-A1 Composition for dyeing keratinous fibres comprising a polysiloxane-polyurea block copolymer L'Oréal (FR) 2008-06-25 EP disclosed
EP-1844816-A2 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent L'Oréal (FR) 2007-10-17 EP disclosed