SCHEMBL11834925

SCHEMBL11834925

O=C1CC(=S)C(=O)N1c1cc(N2C(=O)CC(=S)C2=O)cc(N2C(=O)CC(=S)C2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ USP2 O75604 1/20 0.38
▸ GAA P10253 7/20 0.37
▸ TLR9 Q9NR96 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ CASP6 P55212 2/20 0.35
▸ KMT2A Q03164 8/20 0.34
▸ MEN1 O00255 6/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPT P10636 3/20 0.31

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
SCHEMBL11834938 0.67 L3MBTL1 (0.39) ALDH1A1GAAKMT2AMEN1L3MBTL1
SCHEMBL11836374 0.65 CA12 (0.48) ALDH1A1GAAKMT2AMEN1L3MBTL1
SCHEMBL3097311 0.65 — —
SCHEMBL11067327 0.64 ALDH1A1 (0.43) ALDH1A1USP2GAACASP6KMT2A
SCHEMBL9069523 0.64 CASP6 (0.47) ALDH1A1GAATLR9PKMCASP6
SCHEMBL11845647 0.63 SMN1; SMN2 (0.32) GAAKMT2AMEN1SMN1; SMN2
SCHEMBL10268369 0.63 ALDH1A1 (0.50) ALDH1A1USP2GAACASP6KMT2A
SCHEMBL11763282 0.61 ALDH1A1 (0.43) ALDH1A1USP2GAACASP6KMT2A
SCHEMBL11763276 0.61 ALDH1A1 (0.43) ALDH1A1USP2GAACASP6KMT2A
SCHEMBL11847052 0.60 ALDH1A1 (0.38) ALDH1A1GAAHPGDMAPT

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-3974163-A VULCANIZATION INHIBITOR MONSANTO COMPANY (US) 1976-08-10 — — US disclosed
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