SCHEMBL5718344

SCHEMBL5718344

COS(=O)(=O)[O-].CSc1cc(NCCCn2cc[n+](C)c2)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.35

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 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.35
LMNA P02545 6/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 7/20 0.32
PKM P14618 3/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.32
MAPK1 P28482 2/20 0.32
ALPG P10696 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC2A1 P11166 1/20 0.31
BCL6 P41182 1/20 0.30
BCOR Q6W2J9 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5718354 0.94 MAPT (0.35) MAPTLMNAHTTSMN1; SMN2PKM
SCHEMBL5718267 0.92 MAPT (0.38) MAPTLMNAHTTSMN1; SMN2PKM
SCHEMBL5718274 0.89 CYP19A1 (0.36) MAPTLMNAHTTSMN1; SMN2PKM
SCHEMBL7659809 0.85 LMNA (0.35) MAPTLMNAHTTSMN1; SMN2PKM
SCHEMBL5718463 0.85 MAPT (0.53) MAPTLMNAHTTSMN1; SMN2PKM
SCHEMBL5718310 0.84 MAPT (0.38) MAPTLMNAHTTSMN1; SMN2PKM
SCHEMBL5718321 0.82 LMNA (0.39) MAPTLMNAHTTSMN1; SMN2PKM
SCHEMBL5718453 0.82 MAPT (0.44) MAPTLMNAHTTSMN1; SMN2PKM
SCHEMBL5718409 0.81 ALDH1A1 (0.49) MAPTLMNAHTTSMN1; SMN2PKM
Water SCHEMBL5718501 0.81 MAPT (0.44) MAPTLMNAHTTSMN1; SMN2PKM

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 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-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