SCHEMBL6589300

SCHEMBL6589300

COc1ccc(F)cc1C(=O)NC1Cc2cc(S(N)(=O)=O)c(OC)cc2OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PIN1 Q13526 4/20 0.39
POLB P06746 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
HIF1A Q16665 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL6591147 0.89 CA1 (0.54) CA1CA2CA12CA7CA14
SCHEMBL6591449 0.86 ABCC9 (0.42) CA1CA2CA12CA7CA14
SCHEMBL6594026 0.84 HCRTR1 (0.34) PIN1HCRTR1HCRTR2HIF1A
SCHEMBL6592791 0.84 ABCC9 (0.37) PIN1HCRTR1HCRTR2HIF1ASMN1; SMN2
SCHEMBL6590513 0.83 MALT1 (0.49) CA1CA2CA12CA7CA14
SCHEMBL4253427 0.82 HCRTR1 (0.34) PIN1HCRTR1HCRTR2HIF1A
SCHEMBL6592058 0.82 HIF1A (0.50) PIN1HCRTR1HCRTR2HIF1ASMN1; SMN2
SCHEMBL6592710 0.77 CA1 (0.44) CA1CA2CA12CA7CA14
SCHEMBL6594278 0.75 ABCC9 (0.53) CA1CA2CA12CA7CA14
SCHEMBL6593174 0.74 ABCC9 (0.44) CA1CA2CA12CA7CA14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842927-B1 3-Amido-chromanylsulfonyl(thio)ureas, process for their preparation, their use and medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-02-25 EP disclosed
US-5849755-A 3-amidochromanylsulfonyl(thio)ureas, processes for their preparation, their use, and pharmaceutical preparations comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0842927-A1 3-Amido-chromanylsulfonyl(thio)ureas, process for their preparation, their use and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed