SCHEMBL21991183

SCHEMBL21991183

C[S+]([O-])Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAOB P27338 3/20 0.51
MAOA P21397 2/20 0.51
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
KCNE1 P15382 1/20 0.50
KCNQ1 P51787 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL19380087 0.88 KCNQ3 (0.50) NPC1RAB9AL3MBTL1MAOBMAOA
SCHEMBL21990941 0.86 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1MAOBMAOA
SCHEMBL21991734 0.86 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1MAOBMAOA
SCHEMBL21990943 0.85 L3MBTL1 (0.46) NPC1RAB9AL3MBTL1MAOBMAOA
SCHEMBL21991042 0.85 SMN1; SMN2 (0.47) NPC1RAB9AL3MBTL1MAOBMAOA
SCHEMBL21991737 0.83 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1MAOBMAOA
SCHEMBL19380323 0.83 ALDH1A1 (0.46) NPC1RAB9AL3MBTL1MAOBMAOA
SCHEMBL21991154 0.83 L3MBTL1 (0.48) NPC1RAB9AL3MBTL1MAOBMAOA
SCHEMBL21990938 0.83 L3MBTL1 (0.46) NPC1RAB9AL3MBTL1MAOBMAOA
SCHEMBL21991143 0.83 L3MBTL1 (0.46) NPC1RAB9AL3MBTL1MAOBMAOA

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