SCHEMBL21991179

SCHEMBL21991179

O=C(Nc1ccc(F)c(F)c1)c1ccnc(N[S+]([O-])C2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.48
KCNQ2 O43526 4/20 0.48
GSK3B P49841 7/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
GSK3A P49840 3/20 0.44
MAOB P27338 3/20 0.44
LMNA P02545 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL21014410 0.93 MAOB (0.45) KCNQ3KCNQ2GSK3BMAPTNPC1
SCHEMBL21991044 0.89 MAOB (0.43) KCNQ3KCNQ2GSK3BMAPTNPC1
SCHEMBL21991148 0.88 GRM4 (0.50) KCNQ3KCNQ2GSK3BMAPTGSK3A
SCHEMBL21014454 0.87 L3MBTL1 (0.45) KCNQ3KCNQ2GSK3BMAPTNPC1
SCHEMBL21990938 0.86 L3MBTL1 (0.46) KCNQ3KCNQ2GSK3BMAPTNPC1
SCHEMBL21991736 0.84 CCR2 (0.47) KCNQ3KCNQ2GSK3BMAPTNPC1
SCHEMBL21991185 0.83 KCNQ3 (0.44) KCNQ3KCNQ2GSK3BMAPTNPC1
SCHEMBL21014612 0.79 NPC1 (0.43) KCNQ3KCNQ2GSK3BMAPTNPC1
SCHEMBL21990940 0.77 KDM4D (0.46) GSK3BMAPTNPC1RAB9AGSK3A
SCHEMBL17803601 0.77 KCNQ3 (0.49) KCNQ3KCNQ2GSK3BMAPTNPC1

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