SCHEMBL11526686

SCHEMBL11526686

Cc1cc(S(=O)(=O)NN)cc(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYTH2 Q99418 3/20 0.47
ACHE P22303 1/20 0.45
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GAA P10253 5/20 0.40
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP6 P55212 1/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
BRD4 O60885 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38

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
SCHEMBL11526549 0.76 GFER (0.43) CYP1A2CYTH2CA1CA2GAA
SCHEMBL420884 0.76 CYP1A2 (0.50) CYP1A2ACHECA1CA2GAA
SCHEMBL20651836 0.75 MEP1B (0.53) CYP1A2CA1CA2GAAHTT
SCHEMBL1864223 0.75 LMNA (0.55) HTTMEN1KMT2ACASP6GFER
SCHEMBL142565 0.75 CA1 (0.50) CYP1A2CYTH2CA1CA2GAA
SCHEMBL359985 0.75 CA1 (0.50) CYP1A2CYTH2CA1CA2GAA
SCHEMBL11525472 0.75 ACHE (0.53) CYP1A2ACHECA1CA2GAA
SCHEMBL6282639 0.75 ACHE (0.49) CYP1A2CYTH2ACHECA1CA2
SCHEMBL11529072 0.75 CA2 (0.47) CYP1A2CA1CA2GAAHTT
SCHEMBL1577443 0.73 CA1 (0.48) CYP1A2CYTH2CA1CA2GAA

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-4164611-A ALSO ACT AS HEAT AND OXIDATION STABILIZER CIBA-GEIGY CORPORATION (US) 1979-08-14 US claimed
US-4164611-A ALSO ACT AS HEAT AND OXIDATION STABILIZER CIBA-GEIGY CORPORATION (US) 1979-08-14 US disclosed