SCHEMBL9540333

SCHEMBL9540333

CN(C)C(=O)c1ccccc1Sc1cc(Cl)ccc1C=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.72
ALDH1A1 P00352 2/20 0.72
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
MAPT P10636 2/20 0.68
HTT P42858 1/20 0.56
SLC6A4 P31645 2/20 0.48
ITGB2 P05107 3/20 0.39
ICAM1 P05362 3/20 0.39
ITGAL P20701 3/20 0.39
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
EGFR P00533 1/20 0.36
ALK Q9UM73 1/20 0.36
ERN1 O75460 2/20 0.36
PDE7A Q13946 1/20 0.36
TERT O14746 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL9464523 0.90 ALDH1A1 (0.72) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL9540270 0.87 ALDH1A1 (0.64) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL8535263 0.81 ALDH1A1 (1.00) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL8534092 0.78 ALDH1A1 (0.69) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL9541386 0.78 ALDH1A1 (0.66) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL9541381 0.78 ALDH1A1 (0.66) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL9660771 0.78 ALDH1A1 (0.55) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL11531926 0.77 HPGD (0.51) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL9540329 0.77 ALDH1A1 (0.54) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL9541376 0.76 ALDH1A1 (0.60) HPGDALDH1A1MEN1KMT2AMAPT

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-1993012080-A1 SUBSTITUTED DIPHENYLSULFIDES AS SEROTONIN UPTAKE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1993-06-24 WO disclosed