SCHEMBL7307610

SCHEMBL7307610

CC(O)c1ccc(OCCCCCCC(=O)NC2CNCCN2C)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.38
LMNA P02545 1/20 0.37
CNR2 P34972 9/20 0.35
CNR1 P21554 7/20 0.35
KDM4E B2RXH2 6/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL7320749 0.87 MAOB (0.39) LMNACNR2CNR1KDM4E
SCHEMBL7311424 0.86 LMNA (0.37) LMNACNR2CNR1KDM4EALDH1A1
SCHEMBL7307607 0.84 LMNA (0.36) SIRT3LMNACNR2CNR1KDM4E
SCHEMBL10377207 0.81 LMNA (0.40) LMNAKDM4EITGB3ITGA2BALDH1A1
SCHEMBL7310463 0.75 SIRT3 (0.39) SIRT3LMNACNR2CNR1KDM4E
SCHEMBL7307614 0.75 KDM4E (0.37) KDM4EITGB3ITGA2BALDH1A1MAPT
SCHEMBL7316032 0.72 SIRT3 (0.41) SIRT3LMNAKDM4EALDH1A1MAPT
SCHEMBL7320743 0.71 MAOB (0.38) LMNAKDM4EALDH1A1
SCHEMBL7311419 0.70 ALDH1A1 (0.35) LMNAKDM4EITGB3ITGA2BALDH1A1
SCHEMBL7310467 0.69 ALDH1A1 (0.48) LMNAKDM4EALDH1A1MAPTTDP1

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
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed