SCHEMBL8349148

SCHEMBL8349148

CCc1c([N+](=O)[O-])ccc2c1NCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PNMT P11086 3/20 0.36
ADRA2A P08913 2/20 0.35
FBP1 P09467 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
ADRA2B P18089 1/20 0.31

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
SCHEMBL7659242 0.80 HTR2A (0.45) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL8346883 0.74 HTR2A (0.40) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL376278 0.72 PNMT (0.47) HTR2AHTR2CHTR2BALDH1A1MAPT
Ethoxycarbonyl Group SCHEMBL27597891 0.69 PNMT (0.36) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL20898566 0.69 HTR2A (0.38) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL4705311 0.69 PDK2 (0.49) ALDH1A1CYP3A4FBP1TSHRGAA
SCHEMBL28083310 0.68 PNMT (0.36) ALDH1A1MAPTCYP3A4ALOX15HSD17B10
SCHEMBL393596 0.68 ALDH1A1 (0.63) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL20898871 0.68 HTR2A (0.54) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL8091152 0.68 PDK1 (0.42) ALDH1A1MAPTCYP3A4HSD17B10FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5938792-A APPLYING TO KERATINOUS FIBERS UNDER BASIC CONDITIONS COMPOSITION COMPRISING AMINOINDOLE COUPLER, OXIDATION DYE PRECURSOR, OXIDIZING AGENT L'OREAL (FR) 1999-08-17 US disclosed
US-5752982-A DYEING HAIR IN LIGHTFAST, WASHFAST COLORS L'OREAL (FR) 1998-05-19 US disclosed
EP-0578735-B1 NOVEL KERATIN FIBRE DYEING METHOD USING AMINOINDOLES, WITH ACID pH, COMPOSITIONS THEREFOR AND NOVEL AMINOINDOLE COMPOUNDS OREAL (FR) 1996-01-03 EP disclosed
EP-0580713-B1 METHOD FOR DYEING KERATIN FIBRES WITH AMINOINDOLES HAVING ALKALINE pH, AND COMPOSITIONS THEREFOR OREAL (FR) 1995-03-01 EP disclosed
EP-0580713-A1 METHOD FOR DYEING KERATIN FIBRES WITH AMINOINDOLES HAVING ALKALINE pH, AND COMPOSITIONS THEREFOR. OREAL (FR) 1994-02-02 EP disclosed
EP-0578735-A1 NOVEL KERATIN FIBRE DYEING METHOD USING AMINOINDOLES, WITH ACID pH, COMPOSITIONS THEREFOR AND NOVEL AMINOINDOLE COMPOUNDS. OREAL (FR) 1994-01-19 EP disclosed
WO-1992018093-A1 METHOD FOR DYEING KERATIN FIBRES WITH AMINOINDOLES HAVING ALKALINE pH, AND COMPOSITIONS THEREFOR L'OREAL (FR) 1992-10-29 WO disclosed
WO-1992017157-A1 NOVEL KERATIN FIBRE DYEING METHOD USING AMINOINDOLES, WITH ACID pH, COMPOSITIONS THEREFOR AND NOVEL AMINOINDOLE COMPOUNDS L'OREAL (FR) 1992-10-15 WO disclosed