SCHEMBL9541376

SCHEMBL9541376

CN(C)C(=O)c1ccccc1Sc1cccc(Cl)c1C=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
HPGD P15428 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 2/20 0.60
SLC6A4 P31645 1/20 0.50
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
KEAP1 Q14145 1/20 0.38
TERT O14746 1/20 0.36

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
SCHEMBL9540329 0.82 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL18795412 0.81 MAPT (0.46) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL8534092 0.81 ALDH1A1 (0.69) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL9464523 0.76 ALDH1A1 (0.72) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL9540333 0.76 HPGD (0.72) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL8535263 0.75 ALDH1A1 (1.00) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1399366 0.74 ALDH1A1 (0.55) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1399455 0.74 ALDH1A1 (0.55) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL8530329 0.73 ALDH1A1 (0.50) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL9660771 0.72 ALDH1A1 (0.55) ALDH1A1HPGDMEN1KMT2AMAPT

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