SCHEMBL21991040

SCHEMBL21991040

O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(N[S+]([O-])CC2(O)CCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL21991149 0.85 NPC1 (0.43) L3MBTL1NPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL21991737 0.85 L3MBTL1 (0.47) L3MBTL1NPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL21991038 0.84 ALDH1A1 (0.46) L3MBTL1NPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL21990941 0.83 L3MBTL1 (0.47) L3MBTL1NPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL21991734 0.83 L3MBTL1 (0.47) L3MBTL1NPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL17880536 0.82 L3MBTL1 (0.44) L3MBTL1NPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL19380323 0.82 ALDH1A1 (0.46) L3MBTL1NPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL21991143 0.82 L3MBTL1 (0.46) L3MBTL1NPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL21990943 0.82 L3MBTL1 (0.46) L3MBTL1NPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL21991042 0.82 SMN1; SMN2 (0.47) L3MBTL1NPC1RAB9ASMN1; SMN2KCNQ3

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