SCHEMBL21990940

SCHEMBL21990940

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 3/20 0.46
KDM4C Q9H3R0 5/20 0.42
KDM4E B2RXH2 3/20 0.42
KDM6B O15054 3/20 0.42
KDM5C P41229 3/20 0.42
KDM2A Q9Y2K7 3/20 0.42
KDM3A Q9Y4C1 3/20 0.42
ALKBH5 Q6P6C2 3/20 0.42
FTO Q9C0B1 3/20 0.42
KDM4A O75164 3/20 0.42
KDM5A P29375 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
TET3 O43151 1/20 0.42
BBOX1 O75936 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ASPH Q12797 1/20 0.42
TET2 Q6N021 1/20 0.42
KDM7A Q6ZMT4 1/20 0.42
KDM8 Q8N371 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
SCHEMBL21991179 0.77 KCNQ3 (0.48) MAPTGSK3BGSK3ANPC1RAB9A
SCHEMBL21990942 0.75 GSK3B (0.32) GSK3B
SCHEMBL23020847 0.75 KDM4D (0.47) KDM4DKDM4CKDM4EKDM6BKDM5C
SCHEMBL24473804 0.74 HCAR3 (0.61) KDM4DKDM4CKDM4EKDM6BKDM5C
SCHEMBL2714358 0.73 ACVRL1 (0.62) MAPTGSK3BGSK3A
SCHEMBL21991148 0.73 GRM4 (0.50) MAPTGSK3BGSK3A
SCHEMBL21014454 0.72 L3MBTL1 (0.45) KDM4EALDH1A1MAPTGSK3BGSK3A
SCHEMBL23304365 0.72 HCAR3 (0.63) KDM4DKDM4CKDM4EKDM6BKDM5C
SCHEMBL23021195 0.72 KDM4D (0.49) KDM4DKDM4CKDM4EKDM6BKDM5C
SCHEMBL30260126 0.72 HCAR3 (0.63) KDM4DKDM4CKDM4EKDM6BKDM5C

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