SCHEMBL9230987

SCHEMBL9230987

Cc1ccc(S(=O)(=O)c2ccc(NC(C)(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.61
▸ ALDH1A1 P00352 5/20 0.61
▸ MAPT P10636 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ PKM P14618 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL13884294 0.92 ALDH1A1 (0.55) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL9228703 0.85 HTR6 (0.54) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL5983235 0.83 NPC1 (0.48) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL9230339 0.83 HTR6 (0.59) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL9229082 0.83 MAPT (0.47) GAAALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9231987 0.83 HTR6 (0.52) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL9228688 0.80 ALDH1A1 (0.65) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL9232433 0.80 PKM (0.66) GAAALDH1A1MAPTPKMSMN1; SMN2
SCHEMBL23775709 0.79 GAA (0.73) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL7113886 0.79 GAA (0.73) GAAALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666253-A1 N-t-BUTYLANILINE ANALOG AND LIPID LEVEL DEPRESSANT CONTAINING THE SAME TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-08-09 — — EP disclosed
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