SCHEMBL5718367

SCHEMBL5718367

COS(=O)(=O)[O-].C[n+]1ccn(CCCNc2ccc([N+](=O)[O-])cc2C#N)c1

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
ALDH1A1 P00352 9/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 8/20 0.36
PKM P14618 3/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.34
BCL6 P41182 1/20 0.34
BCOR Q6W2J9 1/20 0.34
HTT P42858 1/20 0.34
VCAM1 P19320 1/20 0.33
KAT2B Q92831 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL6573894 0.93 RECQL (0.53) RECQLALDH1A1LMNASMN1; SMN2GAA
SCHEMBL5718378 0.87 MAPT (0.42) ALDH1A1LMNASMN1; SMN2MAPTPKM
SCHEMBL5718281 0.86 POLB (0.37) ALDH1A1LMNASMN1; SMN2MAPTPKM
SCHEMBL5718409 0.86 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2GAAMAPT
SCHEMBL5718502 0.82 MAPT (0.43) ALDH1A1SMN1; SMN2GAAMAPTPKM
Water SCHEMBL5718501 0.81 MAPT (0.44) RECQLALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5718453 0.80 MAPT (0.44) RECQLALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5718463 0.79 MAPT (0.53) ALDH1A1LMNASMN1; SMN2MAPTPKM
SCHEMBL6571751 0.79 MAPT (0.46) ALDH1A1LMNASMN1; SMN2MAPTPKM
SCHEMBL5718306 0.79 KAT2B (0.46) ALDH1A1LMNASMN1; SMN2GAAMAPT

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-1018333-B1 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process OREAL (FR) 2006-03-01 EP claimed
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 claimed
US-6638321-B1 Oxidation color dyes for hair from aniline compounds L'OREAL (FR) 2003-10-28 US 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