Sugi Predict

Sugi Predict / Compounds / SCHEMBL7980485

SCHEMBL7980485

SCHEMBL7980485

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ HTR6 P50406 2/20 0.42
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3CA P42336 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 0.96 NOX4 (0.45) NOX4POLBHTR6CTSVCTSL
SCHEMBL7969048 0.93 HTR6 (0.43) NOX4POLBHTR6CTSVCTSL
SCHEMBL7981817 0.93 POLB (0.49) NOX4POLBHTR6CTSVCTSL
SCHEMBL7981880 0.91 PPARG (0.47) NOX4POLBHTR6CTSVCTSL
SCHEMBL7969050 0.89 HTR6 (0.47) NOX4POLBHTR6
SCHEMBL7982037 0.83 NOX4 (0.39) NOX4POLBCTSVCTSLPIK3R1
SCHEMBL7827050 0.81 HTR6 (0.39) POLBHTR6
SCHEMBL7811436 0.80 NOX4 (0.49) NOX4POLBPIK3R1PIK3CA
SCHEMBL7818699 0.78 TP53 (0.52) HTR6
SCHEMBL7814384 0.78 HTR6 (0.45) POLBHTR6PIK3R1PIK3CA

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