SCHEMBL9208428

SCHEMBL9208428

Cc1c(-c2cccs2)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 4/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
MAPT P10636 7/20 0.51
HTT P42858 4/20 0.51
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HCRTR1 O43613 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CTSV O60911 2/20 0.50

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
SCHEMBL2422728 0.80 ALDH1A1 (0.62) MEN1KMT2AALDH1A1POLBPKM
SCHEMBL27543191 0.77 DRD2 (0.52) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL30312308 0.75 ALDH1A1 (0.68) MEN1KMT2AALDH1A1POLBPKM
SCHEMBL4011471 0.75 ALDH1A1 (0.68) MEN1KMT2AALDH1A1POLBPKM
SCHEMBL8995335 0.74 ALOX5 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10602238 0.74 ALOX5 (0.59) MEN1KMT2AALDH1A1POLBPKM
SCHEMBL8310270 0.73 CYP19A1 (0.62) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL28196967 0.73 MAPT (0.54) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL10600299 0.72 ALDH1A1 (0.52) MEN1KMT2AALDH1A1POLBPKM
SCHEMBL27287105 0.72 ALDH1A1 (0.51) MEN1KMT2AALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650599-A1 METHOD OF COLORIMETRIC ANALYSIS OF MALONIC DIALDEHYDE AND 4-HYDROXY-2-ENALDEHYDES AS INDEXES OF LIPID PEROXIDATION, KITS FOR CARRYING OUT SAID METHOD, SUBSTITUTED INDOLES FOR USE IN SAID METHOD AND THEIR PREPARATION OXIS INTERNATIONAL S.A. (FR) 1995-05-03 EP disclosed
WO-1994027155-A1 METHOD OF COLORIMETRIC ANALYSIS OF MALONIC DIALDEHYDE AND 4-HYDROXY-2-ENALDEHYDES AS INDEXES OF LIPID PEROXIDATION, KITS FOR CARRYING OUT SAID METHOD, SUBSTITUTED INDOLES FOR USE IN SAID METHOD AND THEIR PREPARATION BIOXYTECH (FR) 1994-11-24 WO disclosed