SCHEMBL29132450

SCHEMBL29132450

CC(=O)Nc1ccc(-c2ccccc2S)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
HTT P42858 2/20 0.60
NAPRT Q6XQN6 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 7/20 0.54
KMT2A Q03164 7/20 0.54
RAB9A P51151 6/20 0.54
ALDH1A1 P00352 6/20 0.54
MEN1 O00255 6/20 0.54
NPC1 O15118 5/20 0.54
MAOA P21397 1/20 0.54
POLB P06746 4/20 0.53
TAAR1 Q96RJ0 1/20 0.53
SCN2A Q99250 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ATM Q13315 1/20 0.51
GAA P10253 1/20 0.50
HPGD P15428 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL28305720 0.84 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
Acetic Acid SCHEMBL28306932 0.82 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
Hydrogen Sulfide SCHEMBL27704711 0.82 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL28897775 0.81 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL9312359 0.81 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
Fluoride SCHEMBL27907088 0.81 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL10094319 0.80 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL24719656 0.79 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL30124891 0.78 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL24719486 0.78 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10

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
CN-117019156-A Supported metal cluster catalyst and preparation method thereof 南京大学 2023-11-10 CN claimed