SCHEMBL29034677

SCHEMBL29034677

COCCCCOC(=S)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 2/20 0.44
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
APOBEC3G Q9HC16 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.39
CNR2 P34972 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL6057411 0.85 TDP1 (0.53) TDP1POLBALDH1A1LMNATSHR
SCHEMBL10797616 0.84 LMNA (0.53) TDP1POLBALDH1A1LMNATSHR
SCHEMBL6057299 0.84 LMNA (0.53) TDP1POLBALDH1A1LMNATSHR
SCHEMBL6057166 0.83 LMNA (0.52) TDP1SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL28850427 0.82 LMNA (0.51) TDP1POLBALDH1A1LMNATSHR
SCHEMBL758741 0.81 TDP1 (0.81) TDP1SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL13881856 0.80 TDP1 (0.79) TDP1POLBALDH1A1LMNATSHR
SCHEMBL6057158 0.79 TDP1 (0.50) TDP1SMN1; SMN2ALDH1A1LMNATSHR
Thiobenzoic Acid SCHEMBL10913859 0.79 LMNA (0.47) TDP1SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL6057354 0.79 LMNA (0.66) TDP1SMN1; SMN2POLBALDH1A1GAA

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-109563024-B Eutectic of lithium benzoate and use thereof 心悦生医股份有限公司 2023-06-06 CN disclosed