SCHEMBL11398588

SCHEMBL11398588

CCCCCCCCCCCCc1ccccc1S(=O)(=O)Nc1nnc(S)s1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.49
GAB1 Q13480 5/20 0.47
IRS1 P35568 3/20 0.44
ATM Q13315 1/20 0.41
PDPK1 O15530 1/20 0.41
ABCB11 O95342 1/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 1/20 0.41

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
SCHEMBL11390455 0.85 AKT1 (0.51) AKT1GAB1IRS1ATM
SCHEMBL11891686 0.80 AKT1 (0.65) AKT1GAB1PDPK1ABCB11AKT2
SCHEMBL11354551 0.78 MEN1 (0.56)
SCHEMBL29129697 0.77 PKM (0.48)
SCHEMBL11358383 0.76 EDNRA (0.49)
SCHEMBL11364996 0.76 EDNRA (0.49)
SCHEMBL226295 0.74 RECQL (0.52)
SCHEMBL11406272 0.74 LIPG (0.46)
SCHEMBL11355966 0.73 KDM4E (0.52) ATM
SCHEMBL31367739 0.72 CA12 (0.51)

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-4251664-A IN A WATER IMMISCIBLE, LIQUID HYDROCARBON SOLVENT HENKEL CORPORATION (US) 1981-02-17 US disclosed