SCHEMBL8347178

SCHEMBL8347178

CCCCSc1cc(N)c([N+](=O)[O-])cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
ALDH1A1 P00352 4/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 2/20 0.38
TLR8 Q9NR97 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MCL1 Q07820 1/20 0.37
KDM4E B2RXH2 1/20 0.37
G6PD P11413 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL15155306 0.92 CA2 (0.44) MAPTALDH1A1CA2LMNATSHR
SCHEMBL8350990 0.84 MAPT (0.44) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL8350987 0.84 MAPT (0.42) MAPTALDH1A1CA2LMNATSHR
Hydrochloric Acid SCHEMBL8663331 0.83 MAPT (0.41) MAPTALDH1A1CA2LMNATSHR
SCHEMBL8350043 0.81 CA2 (0.54) MAPTALDH1A1CA2LMNATSHR
SCHEMBL11410101 0.81 SLC6A4 (0.46) MAPTALDH1A1CA2LMNAMEN1
SCHEMBL8758983 0.81 ALDH1A1 (0.39) MAPTALDH1A1CA2LMNATSHR
SCHEMBL8759890 0.81 MAPT (0.40) MAPTALDH1A1CA2LMNATSHR
SCHEMBL6674869 0.79 TDP1 (0.47) MAPTALDH1A1TSHRTDP1POLB
SCHEMBL6678642 0.78 MEN1 (0.49) MAPTALDH1A1LMNATSHRTDP1

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 7 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
EP-0673926-A1 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 L'OREAL (FR) 1995-09-27 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
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 disclosed
EP-0673926-A1 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 L'OREAL (FR) 1995-09-27 EP disclosed