SCHEMBL4477503

SCHEMBL4477503

O=C(Nc1ccccc1)NS(=O)(=O)c1ccsc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
CYP2C9 P11712 2/20 0.56
ACP1 P24666 2/20 0.54
IDH2 P48735 2/20 0.50
HPGD P15428 1/20 0.50
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
TP53 P04637 2/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47
EPHX2 P34913 1/20 0.47
CDK9 P50750 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
HRH3 Q9Y5N1 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 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
SCHEMBL9424651 0.85 CA12 (0.53) LMNACYP2C9CA12CA1CA2
SCHEMBL4196236 0.82 LMNA (0.78) LMNACYP2C9ACP1CA12CA1
SCHEMBL6297294 0.79 LMNA (0.79) LMNACYP2C9ACP1CA12CA1
SCHEMBL13803806 0.77 KEAP1 (0.62) IDH2CA12CA1CA2CA9
SCHEMBL4457678 0.75 TP53 (0.73) LMNACYP2C9ACP1CA12CA1
SCHEMBL6295746 0.75 CA12 (0.69) LMNACYP2C9ACP1CA12CA1
SCHEMBL27885 0.75 LMNA (1.00) LMNACYP2C9ACP1HPGDCA12
SCHEMBL5186566 0.75 LMNA (0.72) LMNACYP2C9ACP1CA12CA1
SCHEMBL6794200 0.75 HSD11B1 (0.41) HPGDALDH1A1MAPT
SCHEMBL2789687 0.74 GAA (0.68) LMNACYP2C9ACP1TP53EPHX1

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
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO disclosed