SCHEMBL9540329

SCHEMBL9540329

CN(C)C(=O)c1ccccc1Sc1c(Cl)cccc1C=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HPGD P15428 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
SLC6A4 P31645 1/20 0.46
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
KEAP1 Q14145 1/20 0.36
TERT O14746 1/20 0.34
ERN1 O75460 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
SCHEMBL18795490 0.82 MAPT (0.47) ALDH1A1HPGDKMT2AMAPTSLC6A4
SCHEMBL9541376 0.82 ALDH1A1 (0.60) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL9540333 0.77 HPGD (0.72) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL9464523 0.77 ALDH1A1 (0.72) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL9660771 0.75 ALDH1A1 (0.55) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL8534092 0.75 ALDH1A1 (0.69) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL9540270 0.74 ALDH1A1 (0.64) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1647150 0.74 MEN1 (0.52) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL8530329 0.71 ALDH1A1 (0.50) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL9206778 0.71 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHTTPOLB

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