SCHEMBL4753002

SCHEMBL4753002

CC(=O)Oc1cc(S(=O)(=O)NC2CC2)cc2c1OC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.40
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4750492 0.82 LMNA (0.42) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL4752997 0.81 LMNA (0.41) ALDH1A1LMNAKMT2AMEN1GAA
Hydrochloric Acid SCHEMBL4753988 0.81 LMNA (0.41) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL4752457 0.77 PKM (0.41) ALDH1A1LMNAKMT2AGAA
SCHEMBL23667966 0.74 LMNA (0.46) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL4045697 0.73 LMNA (0.45) ALDH1A1LMNAKMT2AMEN1
SCHEMBL6734438 0.73 LMNA (0.45) ALDH1A1LMNAKMT2AMEN1
SCHEMBL4049990 0.73 LMNA (0.45) ALDH1A1LMNAKMT2AMEN1
SCHEMBL4752981 0.73 LMNA (0.45) LMNAKMT2A
SCHEMBL4787825 0.72 MAPT (0.40) ALDH1A1LMNAHTTSMN1; SMN2GAA

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-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed