SCHEMBL7872541

SCHEMBL7872541

COc1cc(N)c(CCO)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
NQO2 P16083 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
TTR P02766 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7865965 0.80 TSHR (0.45) HTTTDP1ALDH1A1MAPTGAA
SCHEMBL2596015 0.79 CHEK1 (0.46) CHEK1SMN1; SMN2TDP1NQO2MTNR1A
SCHEMBL11555366 0.79 HTT (0.55) HTTTDP1ALDH1A1LMNAMAPT
SCHEMBL3339987 0.79 HMGCR (0.44) SMN1; SMN2TDP1MAPTGAAKDM4E
SCHEMBL6375580 0.79 HTT (0.55) HTTTDP1ALDH1A1LMNAMAPT
SCHEMBL6573968 0.78 RAB9A (0.55) CHEK1SMN1; SMN2HTTTDP1ALDH1A1
SCHEMBL7868696 0.78 CA2 (0.39) HTTTDP1ALDH1A1MAPTMEN1
SCHEMBL4799531 0.77 HTT (0.58) HTTTDP1ALDH1A1LMNAMAPT
SCHEMBL7865943 0.77 L3MBTL1 (0.44) HTTTDP1ALDH1A1LMNAMAPT
SCHEMBL6815710 0.77 HTT (0.58) HTTTDP1ALDH1A1LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306179-B1 FOR DYEING HAIR L'OREAL S.A. (FR) 2001-10-23 US disclosed
EP-0911317-B1 Process for the preparation of 2-hydroyalkyl paraphenylenediamines, novel 2-hydroxyalkyl paraphenylenediamines, their use for oxydative dyeing, dye compositions and dyeing processes OREAL (FR) 2000-09-13 EP disclosed
EP-0911317-A1 Process for the preparation of 2-hydroyalkyl paraphenylenediamines, novel 2-hydroxyalkyl paraphenylenediamines, their use for oxydative dyeing, dye compositions and dyeing processes L'OREAL (FR) 1999-04-28 EP disclosed