SCHEMBL21991734

SCHEMBL21991734

CC1([S+]([O-])Nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL21991183 0.86 NPC1 (0.52) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL19380087 0.83 KCNQ3 (0.50) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL19380197 0.83 NPC1 (0.48) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21991040 0.83 L3MBTL1 (0.45) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21991149 0.82 NPC1 (0.43) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21991042 0.82 SMN1; SMN2 (0.47) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21990941 0.81 L3MBTL1 (0.47) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21991737 0.80 L3MBTL1 (0.47) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21990943 0.80 L3MBTL1 (0.46) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21990938 0.80 L3MBTL1 (0.46) L3MBTL1NPC1RAB9AMAOBMAOA

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