SCHEMBL7311150

SCHEMBL7311150

CC(O)c1cc(OCCCC(=O)NC2CCc3ccccc3N2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
MTNR1A P48039 1/20 0.35
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
CNR2 P34972 1/20 0.34
CNR1 P21554 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
SCHEMBL7316802 0.87 SMN1; SMN2 (0.43) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7311390 0.86 SIRT3 (0.38) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7319250 0.83 SIRT3 (0.38) SIRT3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7308539 0.81 SIRT3 (0.52) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7313625 0.78 SMN1; SMN2 (0.37) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7317420 0.78 CNR1 (0.36) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7309722 0.77 SIRT3 (0.44) SIRT3MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7316032 0.75 SIRT3 (0.41) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7318303 0.74 KDM4E (0.47) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7314553 0.74 KDM4E (0.48) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2

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