SCHEMBL8355249

SCHEMBL8355249

CCN(CC)CCNc1cc([N+](=O)[O-])c(N)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 1/20 0.45
HDAC1 Q13547 1/20 0.39
LMNA P02545 4/20 0.39
CYP3A4 P08684 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
SLC22A1 O15245 1/20 0.38
HTR3B O95264 1/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL9498147 0.86 ALDH1A1 (0.48) MAPTALDH1A1NPSR1HDAC1LMNA
SCHEMBL10610115 0.85 MAPT (0.50) MAPTALDH1A1NPSR1HDAC1LMNA
SCHEMBL8350044 0.84 MAPT (0.46) MAPTALDH1A1NPSR1HDAC1LMNA
SCHEMBL6152988 0.82 MAPT (0.49) MAPTALDH1A1NPSR1LMNACYP3A4
SCHEMBL8349257 0.81 MAPT (0.44) MAPTALDH1A1NPSR1HDAC1LMNA
SCHEMBL6151373 0.81 MAPT (0.50) MAPTALDH1A1NPSR1LMNACYP3A4
SCHEMBL2471755 0.81 MAPT (0.50) MAPTALDH1A1LMNACYP3A4MEN1
SCHEMBL6151803 0.80 MAPT (0.47) MAPTALDH1A1LMNACYP3A4MEN1
SCHEMBL23909 0.80 MAPT (0.51) MAPTALDH1A1LMNACYP3A4CYP1A2
Hydrochloric Acid SCHEMBL10713406 0.80 MAPT (0.49) MAPTALDH1A1CYP3A4KAT2B

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
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
US-4419101-A Chlorine-substituted nitro-para-phenylenediamines, a process for their preparation and their use in dyeing keratin fibres L'OREAL (FR) 1983-12-06 US disclosed