SCHEMBL21990941

SCHEMBL21990941

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
TSHR P16473 1/20 0.46
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL21990943 0.90 L3MBTL1 (0.46) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21991143 0.88 L3MBTL1 (0.46) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21991737 0.87 L3MBTL1 (0.47) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL19380323 0.87 ALDH1A1 (0.46) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21991183 0.86 NPC1 (0.52) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21991042 0.86 SMN1; SMN2 (0.47) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21991038 0.85 ALDH1A1 (0.46) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL19380087 0.84 KCNQ3 (0.50) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21991040 0.83 L3MBTL1 (0.45) L3MBTL1NPC1RAB9AMAOBMAOA
SCHEMBL21991149 0.82 NPC1 (0.43) 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