SCHEMBL8533097

SCHEMBL8533097

Cc1ccc(-c2ccc(C(=O)O)c(CF)c2S(C)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MCL1 Q07820 2/20 0.37
SLC9A1 P19634 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
AKR1C2 P52895 2/20 0.34
AKR1C1 Q04828 1/20 0.34
AKR1C3 P42330 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL8533064 0.88 PTGS1 (0.40) PTGS2SMN1; SMN2MCL1PRKAB2PRKAG1
SCHEMBL8529462 0.76 FOLH1 (0.40) PTGS2SMN1; SMN2
SCHEMBL8533224 0.73 SLC9A1 (0.49) PTGS2SLC9A1
SCHEMBL8529538 0.70 PTGS2 (0.41) PTGS2AKR1C2AKR1C1AKR1C3KMT2A
SCHEMBL9419340 0.68 SMN1; SMN2 (0.47) PTGS2SMN1; SMN2MCL1PRKAB2PRKAG1
SCHEMBL8529625 0.67 PTGS2 (0.38) PTGS2SMN1; SMN2AKR1C2AKR1C1AKR1C3
SCHEMBL27346968 0.66 PTGS2 (0.35) PTGS2SMN1; SMN2KMT2A
SCHEMBL6495696 0.66 HSD17B10 (0.58) SMN1; SMN2MCL1PRKAB2PRKAG1PRKAA2
SCHEMBL6498971 0.66 HDAC7 (0.57) SMN1; SMN2MCL1PRKAB2PRKAG1PRKAA2
SCHEMBL30832923 0.65 MCL1 (0.58) SMN1; SMN2MCL1PRKAB2PRKAG1PRKAA2

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-0699660-B1 Arylbenzoylguanidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
US-5807896-A Arylbenzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 1998-09-15 US disclosed
EP-0699660-A2 Arylbenzoylguanidines MERCK PATENT GmbH (DE) 1996-03-06 EP disclosed