SCHEMBL11565708

SCHEMBL11565708

CC1(C)Oc2ccc(S(C)(=O)=O)cc2NC1CN1C(=O)CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.34
▸ PTGS1 P23219 3/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ DAO P14920 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL11558080 0.85 MAPT (0.36) PTGS2PTGS1BRD4CREBBP
SCHEMBL11556858 0.84 BRD4 (0.38) BRD4CREBBPNR3C2
SCHEMBL11557429 0.84 MMP12 (0.38) BRD4CREBBP
SCHEMBL11558077 0.83 ATAD2 (0.38) CA9
SCHEMBL11558220 0.83 KCNE1 (0.34) AKR1B1NR3C2PSEN1PSEN2APH1B
SCHEMBL11560192 0.83 LMNA (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11559426 0.80 TRPV1 (0.35) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL11560034 0.80 SMN1; SMN2 (0.37) L3MBTL1MAPK1CA12CA1CA9
SCHEMBL11560946 0.80 ALPL (0.34) BRD4CREBBP
SCHEMBL11560739 0.78 NQO2 (0.40) BRD4CREBBP

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
US-4134974-A Imidazo[5,1-c][1,4]benzoxazin-1-one CARLO ERBA S. P. A. (IT) 1979-01-16 — — US disclosed
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