SCHEMBL1004191

SCHEMBL1004191

Nc1ccc(OCCCCCNC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 4/20 0.48
▸ MAPT P10636 6/20 0.46
▸ SIRT5 Q9NXA8 1/20 0.43
▸ PLA2G4B P0C869 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11550814 0.85 MAPT (0.59) MEN1KMT2ALMNAMAPTPLA2G4B
SCHEMBL11549858 0.85 MAPT (0.59) MEN1KMT2ALMNAMAPTPLA2G4B
SCHEMBL11545962 0.85 MAPT (0.59) MEN1KMT2ALMNAMAPTPLA2G4B
SCHEMBL2691444 0.84 CA12 (0.60) MEN1KMT2AMAPTMGLL
SCHEMBL11548169 0.84 MAPT (0.60) MEN1KMT2ALMNAMAPTGAA
SCHEMBL1006114 0.83 ALDH1A1 (0.42) GAAALDH1A1HPGDSMN1; SMN2
SCHEMBL18109929 0.82 MAPT (0.52) MEN1KMT2ALMNAMAPTPLA2G4B
SCHEMBL11545117 0.81 MAPT (0.60) MEN1KMT2ALMNAMAPTGAA
SCHEMBL20982464 0.81 MAPT (0.51) MEN1KMT2ALMNAMAPTSIRT5
SCHEMBL25240179 0.80 DRD2 (0.59) MEN1KMT2ALMNAMAPTGAA

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
WO-2011005609-A2 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-01-13 — — WO disclosed
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