SCHEMBL11220197

SCHEMBL11220197

CCc1cccc(CC)c1NS(=O)(=O)c1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
BRD4 O60885 1/20 0.51
ALDH1A1 P00352 3/20 0.49
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SLC40A1 Q9NP59 1/20 0.48
EDNRA P25101 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
IDH1 O75874 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 2/20 0.46
EDNRB P24530 1/20 0.46

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
SCHEMBL13629415 0.78 MEN1 (0.57) MAPTBRD4ALDH1A1TP53TDP1
SCHEMBL11302972 0.78 SLC22A12 (0.51) ALDH1A1SLC40A1KMT2A
SCHEMBL29447334 0.77 ALDH1A1 (0.45) MAPTBRD4ALDH1A1TP53TDP1
SCHEMBL17813860 0.77 CA1 (0.50) MAPTBRD4SLC40A1MEN1KMT2A
SCHEMBL9771129 0.75 RAPGEF4 (0.43) MAPTBRD4ALDH1A1TP53TDP1
SCHEMBL17803645 0.75 ACLY (0.48) MAPTBRD4ALDH1A1EDNRAIDH1
SCHEMBL30194714 0.74 PKM (0.53) MAPTBRD4ALDH1A1TP53TDP1
SCHEMBL812704 0.74 SLC40A1 (0.60) ALDH1A1TP53TDP1SLC40A1EDNRA
SCHEMBL633994 0.74 ALDH1A1 (0.68) MAPTALDH1A1TP53TDP1EDNRA
SCHEMBL126986 0.74 PKM (0.53) MAPTBRD4ALDH1A1TP53TDP1

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
JP-57031655-A None JP disclosed
JP-S5731655-A BENZENESULFONAMIDE DERIVATIVE AND PLANT BLIGHT CONTROLLING AGENT CONTAINING SAID COMPOUND AS ACTIVE COMPOUND MEIJI SEIKA KAISHA LTD 1982-02-20 JP disclosed