SCHEMBL20866960

SCHEMBL20866960

CC(C)(N=O)c1nc(C(=N)ON)c(N2CCOCC2)s1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.32
▸ FBP1 P09467 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MAPK1 P28482 2/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL20866838 0.85 ATM (0.32) ATMKDM4EALDH1A1GAAMAPT
SCHEMBL24612293 0.84 ATM (0.31) ATMKDM4EALDH1A1GAAMAPT
SCHEMBL20867306 0.83 ATM (0.31) ATM
SCHEMBL24612210 0.73 FBP1 (0.31) FBP1KDM4E
SCHEMBL24612188 0.73 PIK3CD (0.30) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL20866963 0.72 PIK3CD (0.30) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL20867257 0.70 SYK (0.31) —
SCHEMBL20866762 0.70 PIK3CA (0.30) PIK3CA
SCHEMBL20867295 0.69 — —
SCHEMBL18412898 0.68 PIK3CA (0.39) KDM4EALDH1A1GAAMAPTSMN1; SMN2

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
WO-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 — — WO disclosed
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