SCHEMBL21991185

SCHEMBL21991185

O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(N[S+]([O-])C2CCC(O)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
KCNE1 P15382 2/20 0.44
KCNQ1 P51787 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
MAPT P10636 6/20 0.41
GSK3B P49841 5/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GSK3A P49840 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRAF P15056 1/20 0.38

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
SCHEMBL21014454 0.94 L3MBTL1 (0.45) KCNQ3KCNQ2KCNE1KCNQ1L3MBTL1
SCHEMBL21990938 0.88 L3MBTL1 (0.46) KCNQ3KCNQ2KCNE1KCNQ1L3MBTL1
SCHEMBL21991736 0.86 CCR2 (0.47) KCNQ3KCNQ2KCNE1KCNQ1L3MBTL1
SCHEMBL21991179 0.83 KCNQ3 (0.48) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL21014612 0.83 NPC1 (0.43) KCNQ3KCNQ2KCNE1KCNQ1L3MBTL1
SCHEMBL21991737 0.81 L3MBTL1 (0.47) KCNQ3KCNQ2KCNE1KCNQ1L3MBTL1
SCHEMBL21991183 0.80 NPC1 (0.52) KCNQ3KCNQ2KCNE1KCNQ1L3MBTL1
SCHEMBL21991038 0.79 ALDH1A1 (0.46) KCNQ3KCNQ2KCNE1KCNQ1L3MBTL1
SCHEMBL19367947 0.79 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1L3MBTL1
SCHEMBL17803541 0.79 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1L3MBTL1

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-3227262-B1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS INC (US) 2020-05-13 EP disclosed