SCHEMBL10909622

SCHEMBL10909622

O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCCO[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

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
▸ POLB P06746 3/20 0.52
▸ CA12 O43570 1/20 0.51
▸ ACHE P22303 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ S100A4 P26447 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 0.92 CA1 (0.57) CA1CA2CA9CA4POLB
SCHEMBL11314968 0.88 CA1 (0.63) CA1CA2CA9CA4POLB
SCHEMBL11307275 0.86 POLB (0.64) CA1CA2CA9CA4POLB
SCHEMBL10912457 0.86 RAB9A (0.43) CA1CA2CA9CA4POLB
SCHEMBL10913065 0.83 MAPT (0.59) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL8090181 0.83 CA1 (0.58) CA1CA2CA9CA4POLB
SCHEMBL8090169 0.81 POLB (0.58) CA1CA2CA9CA4POLB
SCHEMBL30632396 0.81 POLB (0.58) CA1CA2CA9CA4POLB
SCHEMBL8091427 0.80 CA1 (0.60) CA1CA2CA9CA4POLB
SCHEMBL11306933 0.80 CA1 (0.60) CA1CA2CA9CA4POLB

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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