SCHEMBL9501892

SCHEMBL9501892

CCCCNc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
L3MBTL1 Q9Y468 3/20 1.00
ALDH1A1 P00352 3/20 1.00
TDP1 Q9NUW8 1/20 1.00
GAA P10253 2/20 0.68
CYP3A4 P08684 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
HCAR3 P49019 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
KAT2B Q92831 3/20 0.49
GPR35 Q9HC97 1/20 0.46
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RIPK1 Q13546 2/20 0.43
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL11576924 0.94 MAPT (0.88) MAPTL3MBTL1ALDH1A1TDP1GAA
SCHEMBL27325723 0.90 ALDH1A1 (0.81) MAPTL3MBTL1ALDH1A1TDP1GAA
SCHEMBL9498179 0.90 MAPT (0.81) MAPTL3MBTL1ALDH1A1TDP1GAA
SCHEMBL989741 0.83 MAPT (0.70) MAPTL3MBTL1ALDH1A1TDP1GAA
SCHEMBL3631140 0.82 ALDH1A1 (0.69) MAPTL3MBTL1ALDH1A1TDP1GAA
SCHEMBL7820494 0.81 MAPT (0.68) MAPTL3MBTL1ALDH1A1TDP1GAA
SCHEMBL9498739 0.81 MAPT (0.69) MAPTL3MBTL1ALDH1A1TDP1GAA
SCHEMBL11445418 0.81 MAPT (0.69) MAPTL3MBTL1ALDH1A1TDP1GAA
SCHEMBL9193251 0.81 MAPT (0.67) MAPTL3MBTL1ALDH1A1TDP1GAA
SCHEMBL6901942 0.80 MAPT (0.67) MAPTL3MBTL1ALDH1A1TDP1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5186717-A Colorfastness, hair dyes L'OREAL (FR) 1993-02-16 US disclosed