SCHEMBL8700976

SCHEMBL8700976

CCCc1cc(-n2ccc(=O)cc2)c(S(C)(=O)=O)cc1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
SLC9A1 P19634 1/20 0.36
SLC9A3 P48764 1/20 0.36
SLC9A2 Q9UBY0 1/20 0.36
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
BRD4 O60885 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
VCAM1 P19320 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL8700375 0.92 SLC9A1 (0.38) KMT2ASLC9A1SLC9A3SLC9A2HSD17B10
SCHEMBL8700491 0.87 SLC9A1 (0.37) KMT2ASLC9A1SLC9A3SLC9A2HSD17B10
SCHEMBL8700586 0.82 SLC9A1 (0.50) KMT2ASLC9A1SLC9A3SLC9A2HSD17B10
SCHEMBL8444296 0.81 SLC9A1 (0.56) SLC9A1SLC9A3SLC9A2
SCHEMBL8703455 0.81 MAPT (0.41) KMT2ASLC9A1SLC9A3SLC9A2HSD17B10
SCHEMBL8704148 0.81 EED (0.40) KMT2ASLC9A1SLC9A3SLC9A2HSD17B10
SCHEMBL8703757 0.81 PKM (0.40) KMT2ASLC9A1SLC9A3SLC9A2HSD17B10
SCHEMBL8703472 0.81 KDM4E (0.41) KMT2ASLC9A1SLC9A3SLC9A2HSD17B10
SCHEMBL8578766 0.79 PPARG (0.38) PPARGPPARAHSD17B10KDM4EALDH1A1
SCHEMBL8699798 0.78 CFTR (0.39) KMT2ASLC9A1SLC9A3SLC9A2VCAM1

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-5753680-A Heterocyclyl-benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed