SCHEMBL9779589

SCHEMBL9779589

CCOC(=O)CNCC(=O)Nc1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.51
KMT2A Q03164 10/20 0.51
NPC1 O15118 6/20 0.51
GAA P10253 10/20 0.47
MAPT P10636 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HSD17B10 Q99714 7/20 0.44
ALOX15 P16050 6/20 0.44
TP53 P04637 5/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.43
GFER P55789 1/20 0.43
PKM P14618 4/20 0.43
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9769956 0.87 GAA (0.45) MEN1KMT2ANPC1GAAMAPT
SCHEMBL9779443 0.82 GAA (0.41) MEN1KMT2ANPC1GAAMAPT
SCHEMBL13436803 0.81 MEN1 (0.50) MEN1KMT2ANPC1GAAMAPT
Hydrochloric Acid SCHEMBL9326180 0.78 GAA (0.45) MEN1KMT2ANPC1GAAMAPT
SCHEMBL1258833 0.77 GAA (0.55) MEN1KMT2ANPC1GAAMAPT
SCHEMBL21789275 0.75 CYP2D6 (0.60) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3422728 0.75 GAA (0.55) MEN1KMT2ANPC1GAAMAPT
Alcohol SCHEMBL10947326 0.75 GAA (0.52) MEN1KMT2ANPC1GAAMAPT
Hydrochloric Acid SCHEMBL28317066 0.74 GAA (0.54) MEN1KMT2ANPC1GAAMAPT
SCHEMBL17949098 0.73 ALDH1A1 (0.53) MEN1KMT2ANPC1MAPTRAB9A

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
US-5015659-A Cognition activators to slow aging of the brain CASSELLA AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed