SCHEMBL8350044

SCHEMBL8350044

CCN(CC)CCNc1cc([N+](=O)[O-])c(N)cc1SC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ APP P05067 1/20 0.35
▸ KAT2B Q92831 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ HCAR3 P49019 1/20 0.34

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
SCHEMBL8349257 0.90 MAPT (0.44) MAPTALDH1A1BCHEACHENPSR1
SCHEMBL9498147 0.85 ALDH1A1 (0.48) MAPTALDH1A1BCHEACHENPSR1
SCHEMBL6150864 0.84 MAPT (0.50) MAPTALDH1A1BCHEACHELMNA
SCHEMBL8355249 0.84 MAPT (0.47) MAPTALDH1A1BCHEACHENPSR1
SCHEMBL8355335 0.83 MAPT (0.51) MAPTALDH1A1BCHEACHELMNA
SCHEMBL10620161 0.77 HDAC1 (0.42) MAPTALDH1A1NPSR1HDAC1LMNA
SCHEMBL10610115 0.76 MAPT (0.50) MAPTALDH1A1BCHEACHENPSR1
SCHEMBL11490739 0.75 TSHR (0.45) MAPTALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL18392808 0.75 MAPT (0.46) MAPTALDH1A1NPSR1HDAC1LMNA
SCHEMBL11316660 0.75 ALDH1A1 (0.53) MAPTALDH1A1NPSR1HDAC1LMNA

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
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