SCHEMBL21991736

SCHEMBL21991736

O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(N[S+]([O-])C2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
L3MBTL1 Q9Y468 2/20 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
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAOB P27338 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAOA P21397 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 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
SCHEMBL21990938 0.93 L3MBTL1 (0.46) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL21014410 0.92 MAOB (0.45) NPC1RAB9AKCNQ3KCNQ2MAPT
SCHEMBL21014612 0.91 NPC1 (0.43) CCR2NPC1RAB9AL3MBTL1KCNQ3
SCHEMBL21014454 0.90 L3MBTL1 (0.45) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL21991185 0.86 KCNQ3 (0.44) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL21991044 0.86 MAOB (0.43) NPC1RAB9AKCNQ3KCNQ2MAPT
SCHEMBL21991179 0.84 KCNQ3 (0.48) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL21991737 0.82 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL21991183 0.81 NPC1 (0.52) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL21991156 0.81 GRM4 (0.42) CCR2NPC1RAB9AL3MBTL1KCNQ3

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