SCHEMBL5718326

SCHEMBL5718326

COc1ccc(NCCCn2ccnc2)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 5/20 0.56
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CYP19A1 P11511 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAOB P27338 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ GSK3B P49841 1/20 0.49

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
SCHEMBL5718214 0.87 ALDH1A1 (0.49) QPCTALDH1A1MAPTCYP19A1LMNA
SCHEMBL9940645 0.84 MAPT (0.54) QPCTALDH1A1MAPTCYP19A1LMNA
SCHEMBL6151779 0.83 CYP19A1 (0.50) QPCTALDH1A1MAPTTSHRCYP19A1
SCHEMBL5718359 0.82 CYP19A1 (0.56) QPCTALDH1A1CYP19A1LMNAKDM4E
SCHEMBL7642996 0.82 QPCT (0.56) QPCTALDH1A1CYP19A1LMNAKDM4E
SCHEMBL5718416 0.80 CYP19A1 (0.50) QPCTALDH1A1MAPTCYP19A1LMNA
SCHEMBL5718338 0.80 MAPT (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL7665095 0.79 CYP19A1 (0.49) QPCTALDH1A1MAPTCYP19A1LMNA
SCHEMBL6151785 0.79 ALDH1A1 (0.64) QPCTALDH1A1MAPTTSHRCYP19A1
SCHEMBL9983281 0.78 QPCT (0.49) QPCTALDH1A1MAPTTSHRCYP19A1

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
EP-1018333-B1 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process OREAL (FR) 2006-03-01 — — EP disclosed
US-6478827-B1 Use of cationic monobenzene nitroanilines in the dyeing of keratinous fibers, dyeing compositions and dyeing processes L'ORéAL S.A. (FR) 2002-11-12 — — US disclosed
EP-1018333-A2 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process L'OREAL (FR) 2000-07-12 — — EP disclosed
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