SCHEMBL28473866

SCHEMBL28473866

O=COCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ CA4 P22748 1/20 0.55
▸ CA12 O43570 1/20 0.51
▸ ACHE P22303 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ AGTR1 P30556 1/20 0.46
▸ S100A4 P26447 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ APEX1 P27695 1/20 0.44

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
SCHEMBL10913396 0.84 CA1 (0.57) CA1CA2CA9CA4CA12
SCHEMBL11314968 0.82 CA1 (0.63) CA1CA2CA9CA4CA12
SCHEMBL11307275 0.81 POLB (0.64) CA1CA2CA9CA4CA12
SCHEMBL8091427 0.80 CA1 (0.60) CA1CA2CA9CA4CA12
SCHEMBL11306933 0.80 CA1 (0.60) CA1CA2CA9CA4CA12
SCHEMBL10909622 0.80 CA1 (0.55) CA1CA2CA9CA4CA12
SCHEMBL8090181 0.77 CA1 (0.58) CA1CA2CA9CA4CA12
SCHEMBL6961551 0.76 CA1 (0.59) CA1CA2CA9CA4CA12
SCHEMBL4375792 0.76 CA1 (0.59) CA1CA2CA9CA4CA12
SCHEMBL30050782 0.76 CA1 (0.59) CA1CA2CA9CA4CA12

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-107365295-B Improved method of pomalidomide synthesis process 常州制药厂有限公司 2020-07-07 — — CN disclosed
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