SCHEMBL11841199

SCHEMBL11841199

O=C1CCC(=S)N1c1ccc(N2C(=O)CCC2=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ CA2 P00918 1/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ LMNA P02545 3/20 0.46
▸ GLA P06280 1/20 0.44
▸ GAA P10253 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ FAAH O00519 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL11686284 0.90 F2 (0.52) CA12CA1CA9POLBCA2
SCHEMBL28493476 0.90 FAAH (0.48) CA12CA1CA9POLBCA2
SCHEMBL8938324 0.89 KMT2A (0.48) CA12CA1CA9KMT2AGAA
SCHEMBL11834938 0.86 L3MBTL1 (0.39) CA12CA1CA9POLBCA2
SCHEMBL11478927 0.82 CA12 (0.67) CA12CA1CA9POLBCA2
SCHEMBL11836374 0.79 CA12 (0.48) CA12CA1CA9POLBCA2
SCHEMBL12938821 0.75 CYP19A1 (0.49) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL3780616 0.71 LMNA (0.67) CA12CA1CA9POLBCA2
SCHEMBL572883 0.71 KMT2A (0.83) CA12CA1CA9POLBCA2
SCHEMBL28503117 0.71 FAAH (0.58) CA12CA1CA9POLBCA2

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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