SCHEMBL10913396

SCHEMBL10913396

O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCO[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57
▸ CA9 Q16790 2/20 0.57
▸ CA4 P22748 1/20 0.57
▸ CA12 O43570 1/20 0.53
▸ ACHE P22303 1/20 0.51
▸ ATM Q13315 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ LMNA P02545 2/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ S100A4 P26447 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL10909622 0.92 CA1 (0.55) CA1CA2CA9CA4CA12
SCHEMBL10912078 0.85 CA1 (0.44) CA1CA2CA9CA4CA12
SCHEMBL11314968 0.84 CA1 (0.63) CA1CA2CA9CA4CA12
SCHEMBL28473866 0.84 CA1 (0.55) CA1CA2CA9CA4CA12
SCHEMBL11307275 0.83 POLB (0.64) CA1CA2CA9CA4CA12
SCHEMBL3774059 0.82 ALDH1A1 (0.52) TDP1ALDH1A1L3MBTL1LMNAAGTR1
SCHEMBL8091427 0.82 CA1 (0.60) CA1CA2CA9CA4CA12
SCHEMBL11306933 0.82 CA1 (0.60) CA1CA2CA9CA4CA12
SCHEMBL8090181 0.80 CA1 (0.58) CA1CA2CA9CA4CA12
SCHEMBL6961551 0.79 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
EP-0171977-A1 Phthalimide derivatives, compositions containing them and a process for preparing them SANKYO COMPANY LIMITED (JP) 1986-02-19 — — EP disclosed
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