SCHEMBL8700491

SCHEMBL8700491

COC(=O)c1cc(S(C)(=O)=O)c(-n2ccc(=O)cc2)cc1CF

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
SLC9A3 P48764 1/20 0.37
SLC9A2 Q9UBY0 1/20 0.37
KMT2A Q03164 1/20 0.35
CDK1 P06493 1/20 0.34
VCAM1 P19320 1/20 0.33
CA2 P00918 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
EED O75530 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL8700375 0.91 SLC9A1 (0.38) SLC9A1SLC9A3SLC9A2KMT2ACDK1
SCHEMBL8702119 0.89 SLC9A1 (0.46) SLC9A1SLC9A3SLC9A2KMT2ACDK1
SCHEMBL8700976 0.87 KMT2A (0.37) SLC9A1SLC9A3SLC9A2KMT2AVCAM1
SCHEMBL8703757 0.84 PKM (0.40) SLC9A1SLC9A3SLC9A2KMT2ACDK1
SCHEMBL8700586 0.83 SLC9A1 (0.50) SLC9A1SLC9A3SLC9A2KMT2AVCAM1
SCHEMBL8704148 0.82 EED (0.40) SLC9A1SLC9A3SLC9A2KMT2AKDM4E
SCHEMBL8703472 0.82 KDM4E (0.41) SLC9A1SLC9A3SLC9A2KMT2ACA2
SCHEMBL8703455 0.82 MAPT (0.41) SLC9A1SLC9A3SLC9A2KMT2AHSD17B10
SCHEMBL8705327 0.82 HTT (0.41) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL8699798 0.81 CFTR (0.39) SLC9A1SLC9A3SLC9A2KMT2AVCAM1

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