SCHEMBL9540283

SCHEMBL9540283

CC(O)c1cc(Cl)ccc1Sc1ccccc1C(=O)N(C)C

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
ALDH1A1 P00352 2/20 0.70
MAPT P10636 2/20 0.70
HPGD P15428 3/20 0.67
HTT P42858 1/20 0.55
SLC6A4 P31645 3/20 0.47
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SLC6A9 P48067 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KEAP1 Q14145 1/20 0.35
KDM4E B2RXH2 1/20 0.35
EGFR P00533 1/20 0.35
ALK Q9UM73 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
SCHEMBL8535263 0.83 ALDH1A1 (1.00) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9464523 0.79 ALDH1A1 (0.72) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8534092 0.78 ALDH1A1 (0.69) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9541658 0.76 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3
SCHEMBL9540333 0.76 HPGD (0.72) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9541386 0.75 ALDH1A1 (0.66) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9541381 0.75 ALDH1A1 (0.66) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9540270 0.73 ALDH1A1 (0.64) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1399354 0.73 ALDH1A1 (0.64) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1399426 0.73 ALDH1A1 (0.64) MEN1KMT2AALDH1A1MAPTHPGD

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