SCHEMBL9018690

SCHEMBL9018690

CS(=O)(=O)c1cc(C(=O)O)ccc1C(F)(F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.44
PKM P14618 2/20 0.42
POLB P06746 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
APEX1 P27695 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PTK2B Q14289 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL31401027 0.89 CDC25B (0.45) CDC25BPKMPOLBKMT2AMEN1
SCHEMBL8610270 0.87 SLC9A1 (0.55)
SCHEMBL9018715 0.82 SLC9A1 (0.59)
SCHEMBL17908014 0.79 ABCB11 (0.45) CDC25BPKMPOLBKMT2AMEN1
SCHEMBL5405584 0.77 CDC25B (0.53) CDC25BPKMPOLBKMT2ASMN1; SMN2
SCHEMBL9018704 0.76 SLC9A1 (0.41)
SCHEMBL2593426 0.76 PTK2B (0.58) CDC25BPKMKMT2AMEN1SMN1; SMN2
SCHEMBL27373161 0.75 CDC25B (0.41) CDC25BPKMPOLBKMT2AMEN1
SCHEMBL9018673 0.75 PKM (0.50) CDC25BPKMPOLBPTK2BNPSR1
SCHEMBL29586404 0.74 AR (0.41)

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
EP-0743301-A2 Benzoylguanidines containing fluorine MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed