SCHEMBL7969050

SCHEMBL7969050

COc1ccc2c(c1)c(=O)n(Cc1cc([N+](=O)[O-])ccc1O)n2S(=O)(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.47
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.44
HSP90AA1 P07900 2/20 0.44
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.44
PAX8 Q06710 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.40
NOX4 Q9NPH5 1/20 0.40
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7815730 0.91 NOX4 (0.45) HTR6KMT2AMEN1MAPTHSP90AA1
SCHEMBL7827050 0.89 HTR6 (0.39) HTR6KMT2AMEN1MAPTHSP90AA1
SCHEMBL7980485 0.89 NOX4 (0.44) HTR6POLBNOX4
SCHEMBL7969048 0.88 HTR6 (0.43) HTR6KMT2AMAPTPOLBNOX4
SCHEMBL7981817 0.88 POLB (0.49) HTR6MAPTLMNAPOLBNOX4
SCHEMBL7981880 0.85 PPARG (0.47) HTR6KMT2AMEN1MAPTHSP90AA1
SCHEMBL7982037 0.78 NOX4 (0.39) MAPTPOLBNOX4TDP1
SCHEMBL7811288 0.76 KCNA5 (0.49) HTR6KMT2AMAPTALDH1A1POLB
SCHEMBL7811436 0.75 NOX4 (0.49) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL7978992 0.71 MAPK10 (0.53) HTR6KMT2AMEN1MAPTKDM4E

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-6180637-B1 THERAPY FOR PARKINSON, ALZHEIMER DISEASE ARZNEIMITTELWERK DRESDEN GMBH (DE) 2001-01-30 US claimed
US-6180637-B1 THERAPY FOR PARKINSON, ALZHEIMER DISEASE ARZNEIMITTELWERK DRESDEN GMBH (DE) 2001-01-30 US disclosed
WO-1999058504-A9 NOVEL 1,2,5-TRISUBSTITUTED 1,2-DIHYDRO-INDAZOL-3-ONES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS A MEDICAMENT DRESDEN ARZNEIMITTEL (DE) 2000-02-03 WO disclosed