SCHEMBL28675469

SCHEMBL28675469

CS(=O)(=O)c1ccc2c(c1)CC(OC(N)=O)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.47
CA1 P00915 13/20 0.45
CA2 P00918 13/20 0.45
CA12 O43570 11/20 0.45
CA7 P43166 11/20 0.45
CA14 Q9ULX7 11/20 0.45
CA9 Q16790 7/20 0.45
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL12828068 0.80 PNMT (0.50) PNMTCA1CA2CA12CA7
SCHEMBL28972016 0.76 PSEN1 (0.40) CA1CA2CA12CA7CA14
SCHEMBL24065230 0.76 CA1 (0.71) PNMTCA1CA2CA12CA7
SCHEMBL27689519 0.75 PNMT (0.40) PNMT
SCHEMBL28445305 0.75 PNMT (0.36) PNMTCA1CA2CA12CA7
SCHEMBL12828069 0.75 PNMT (0.51) PNMTCA1CA2CA12CA7
SCHEMBL13995397 0.74 PNMT (0.53) PNMTCA1CA2CA12CA7
SCHEMBL24065052 0.74 PNMT (0.53) PNMTCA1CA2CA12CA7
SCHEMBL30685660 0.73 IDO1 (0.54) CA1CA2
SCHEMBL28448081 0.72 PNMT (0.43) PNMT

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
CN-113710663-A Modulators of MYC family proto-oncogene proteins 纳罗医疗公司 2021-11-26 CN disclosed