SCHEMBL10913065

SCHEMBL10913065

O=C1c2ccccc2C(=O)N1CCCO[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ AGTR1 P30556 1/20 0.47

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
SCHEMBL3774059 0.90 ALDH1A1 (0.52) MAPTRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL10912457 0.84 RAB9A (0.43) MAPTRAB9ASMN1; SMN2ALDH1A1HDAC7
SCHEMBL10909622 0.83 CA1 (0.55) SMN1; SMN2ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL10909557 0.83 POLB (0.56) —
SCHEMBL10909596 0.83 ALDH1A1 (0.48) MAPTRAB9ASMN1; SMN2ALDH1A1HDAC7
SCHEMBL10909875 0.83 POLB (0.44) MAPTRAB9ASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL3779981 0.80 POLB (0.47) MAPTRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8091541 0.79 POLB (0.55) —
SCHEMBL1569305 0.78 ALDH1A1 (0.56) MAPTRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL490841 0.78 ALDH1A1 (0.56) MAPTRAB9ASMN1; SMN2CYP1A2CYP2D6

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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