SCHEMBL11834938

SCHEMBL11834938

O=C1CCC(=S)N1c1cc(N2C(=O)CCC2=S)cc(N2C(=O)CCC2=S)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 5/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 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
SCHEMBL11841199 0.86 CA12 (0.50) L3MBTL1CA12CA1CA9POLB
SCHEMBL8938324 0.80 KMT2A (0.48) L3MBTL1CA12CA1CA9HPGD
SCHEMBL28493476 0.77 FAAH (0.48) L3MBTL1CA12CA1CA9POLB
Dimethachlon SCHEMBL410360 0.68 TSHR (0.50) L3MBTL1CA12CA1CA9POLB
SCHEMBL29749910 0.68 L3MBTL1 (0.73) L3MBTL1CA12CA1CA9POLB
SCHEMBL11834925 0.67 ALDH1A1 (0.38) L3MBTL1HPGDKMT2AALDH1A1GAA
SCHEMBL4763031 0.67 CA12 (0.44) L3MBTL1CA12CA1CA9POLB
SCHEMBL11883244 0.67 L3MBTL1 (0.44) L3MBTL1CA12CA1CA9POLB
SCHEMBL11154155 0.66 KMT2A (0.40) L3MBTL1CA12CA1CA9POLB
SCHEMBL11478927 0.66 CA12 (0.67) L3MBTL1CA12CA1CA9POLB

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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