SCHEMBL8355335

SCHEMBL8355335

CSc1cc(N)c([N+](=O)[O-])cc1NCCN

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2D6 P10635 1/20 0.44
KAT2B Q92831 7/20 0.44
HTR6 P50406 1/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6150864 0.87 MAPT (0.50) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL8350044 0.83 MAPT (0.46) MAPTALDH1A1KAT2BLMNASMN1; SMN2
SCHEMBL30808005 0.82 MAPT (0.54) MAPTALDH1A1CYP2D6KAT2BHTR6
SCHEMBL112790 0.82 MAPT (0.54) MAPTALDH1A1CYP2D6KAT2BHTR6
Bromide SCHEMBL10714879 0.80 MAPT (0.51) MAPTALDH1A1CYP2D6KAT2BHTR6
SCHEMBL2471755 0.79 MAPT (0.50) MAPTALDH1A1KAT2BHTR6LMNA
Hydrochloric Acid SCHEMBL10713406 0.78 MAPT (0.49) MAPTALDH1A1KAT2BHTR6GLA
SCHEMBL8349564 0.78 MAPT (0.55) MAPTALDH1A1LMNAKMT2ABCHE
SCHEMBL6151746 0.76 MAPT (0.40) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL6151858 0.76 MAPT (0.40) MAPTALDH1A1KAT2BLMNABCHE

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
US-5874618-A REACTING 2-NITRO-PARAPHENYLENEDIAMINES SUBSTITUTED AT 5-POSITION BY HALOGEN ATOM WITH MERCAPTAN DERIVATIVE OR SALT IN A SOLVENT, FURTHER OXIDIZING FOR SULFUR; USEFUL AS HAIR DYE; REDUCED ALLERGIES; WASHING STABILITY L'OREAL (FR) 1999-02-23 US claimed
EP-0673926-B1 2-Nitro-p-phenylenediamines having a sulfur atom in position 5, process for their preparation, dye compositions containing them and their use for dyeing keratinic fibres OREAL (FR) 1997-04-09 EP claimed
US-5874618-A REACTING 2-NITRO-PARAPHENYLENEDIAMINES SUBSTITUTED AT 5-POSITION BY HALOGEN ATOM WITH MERCAPTAN DERIVATIVE OR SALT IN A SOLVENT, FURTHER OXIDIZING FOR SULFUR; USEFUL AS HAIR DYE; REDUCED ALLERGIES; WASHING STABILITY L'OREAL (FR) 1999-02-23 US disclosed
US-5735910-A DIRECT HAIR DYES; WASHFASTNESS, COLORFASTNESS L'OREAL (FR) 1998-04-07 US disclosed