SCHEMBL2126575

SCHEMBL2126575

O=[N+]([O-])c1ccc(N2C[CH]CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
ALDH1A1 P00352 3/20 0.57
SIRT6 Q8N6T7 2/20 0.57
POLB P06746 1/20 0.57
ADRB1 P08588 1/20 0.57
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.49
AKR1C3 P42330 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CRBN Q96SW2 1/20 0.46

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
SCHEMBL27972080 0.89 MAPT (0.70) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL4319460 0.84 MAPT (0.59) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL15271381 0.81 SIRT6 (0.81) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL6151230 0.81 SIRT6 (0.81) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL378458 0.77 MAPT (0.96) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL1851861 0.77 MAPT (0.89) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL27907348 0.76 MAPT (0.68) MAPTALDH1A1POLBLMNAMEN1
SCHEMBL85552 0.76 MAPT (1.00) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL7048817 0.76 MAPT (0.85) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL6607374 0.76 MAPT (1.00) MAPTALDH1A1SIRT6POLBADRB1

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-1348695-B1 Derivatives of paraphenylene diamine with pyrrolidine groups substituted by cationic radicals and their use for dyeing keratinic fibre OREAL (FR) 2012-04-25 EP disclosed
EP-1378230-B1 Para-phenylenediamine derivatives comprising a pyrrolidinyl group substituted by a cyclic radical and their use in colouring keratinic fibres OREAL (FR) 2007-11-14 EP disclosed
EP-1378230-A1 Para-phenylenediamine derivatives comprising a pyrrolidinyl group substituted by a cyclic radical and their use in colouring keratinic fibres L'OREAL (FR) 2004-01-07 EP disclosed
EP-1348695-A1 Derivatives of paraphenylene diamine with pyrrolidine groups substituted by cationic radicals and their use for dyeing keratinic fibre L'OREAL (FR) 2003-10-01 EP disclosed