SCHEMBL7968902

SCHEMBL7968902

COc1ccc2c(c1)c(=O)n(C/C=C/c1ccccc1)n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.42
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KCNA5 P22460 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
PADI4 Q9UM07 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
SCHEMBL7968903 1.00 HTR6 (0.42) HTR6POLBL3MBTL1ALDH1A1KCNA5
SCHEMBL7818699 0.78 TP53 (0.52) HTR6
SCHEMBL7854322 0.78 LMNA (0.44) HTR6ALDH1A1PPARGLMNA
SCHEMBL7814384 0.78 HTR6 (0.45) HTR6POLBLMNA
SCHEMBL7815264 0.76 MARK4 (0.51) HTR6POLBL3MBTL1KMT2A
SCHEMBL7978978 0.75 TP53 (0.52) HTR6LMNA
SCHEMBL7814773 0.74 HTR6 (0.41) HTR6POLBALDH1A1PPARGLMNA
SCHEMBL6962715 0.74 HTR6 (0.41) HTR6POLBL3MBTL1ALDH1A1PPARG
SCHEMBL6962722 0.74 HTR6 (0.41) HTR6POLBL3MBTL1ALDH1A1PPARG
SCHEMBL7811288 0.73 KCNA5 (0.49) HTR6POLBALDH1A1KCNA5KMT2A

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