SCHEMBL6746535

SCHEMBL6746535

C[N+]1(CCO)CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.54
MAPT P10636 10/20 0.53
ALDH1A1 P00352 6/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.50
ADRB1 P08588 1/20 0.50
GAA P10253 1/20 0.47

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 SCHEMBL5364983 0.99 SIRT6 (0.52) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5352719 0.91 MAPT (0.50) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5357616 0.81 SIRT6 (0.65) SIRT6MAPTALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5352144 0.79 SIRT6 (0.63) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5351218 0.78 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL5349721 0.77 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6748663 0.75 MAPT (0.66) SIRT6MAPTALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5358867 0.75 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL15271381 0.75 SIRT6 (0.81) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6151230 0.75 SIRT6 (0.81) SIRT6MAPTALDH1A1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186277-B2 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring L'OREAL SA (FR) 2007-03-06 US disclosed
EP-1462091-A1 Composition for dyeing of keratinic fibers comprising a cationic derivative of p-phenylenediamine substituted by a diazacyclohexane or a diazacyloheptane L'OREAL (FR) 2004-09-29 EP disclosed