SCHEMBL7981817

SCHEMBL7981817

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
NOX4 Q9NPH5 1/20 0.43
HTR6 P50406 1/20 0.42
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
TP53 P04637 1/20 0.41
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
TERT O14746 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 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
SCHEMBL7815730 0.95 NOX4 (0.45) POLBNOX4HTR6PPARGPPARD
SCHEMBL7980485 0.93 NOX4 (0.44) POLBNOX4HTR6PIK3R1PIK3CA
SCHEMBL7969048 0.91 HTR6 (0.43) POLBNOX4HTR6TP53PPARG
SCHEMBL7981880 0.89 PPARG (0.47) POLBNOX4HTR6AKR1C3AKR1C2
SCHEMBL7969050 0.88 HTR6 (0.47) POLBNOX4HTR6LMNAMAPT
SCHEMBL7982037 0.82 NOX4 (0.39) POLBNOX4PIK3R1PIK3CAMAPT
SCHEMBL7827050 0.80 HTR6 (0.39) POLBHTR6TP53LMNAMAPT
SCHEMBL7811436 0.78 NOX4 (0.49) POLBNOX4PIK3R1PIK3CAMAPT
SCHEMBL7812528 0.78 PTGS1 (0.46) POLBHTR6PTGS2PTGS1TP53
SCHEMBL7811492 0.73 HTR6 (0.48) HTR6TP53LMNA

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
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