SCHEMBL7312977

SCHEMBL7312977

CC(O)c1c(OCCCCCCC(=O)NC2NCCc3ccccc32)cccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DRD2 P14416 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
OPRM1 P35372 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7318574 0.87 MEN1 (0.41) SIRT3MEN1KMT2ADRD2SMN1; SMN2
SCHEMBL7310172 0.85 DRD2 (0.41) SIRT3MEN1KMT2ADRD2SMN1; SMN2
SCHEMBL7312987 0.80 L3MBTL1 (0.41) SIRT3MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL7308539 0.80 SIRT3 (0.52) SIRT3MEN1KMT2ADRD2SMN1; SMN2
SCHEMBL7320383 0.74 SMN1; SMN2 (0.47) SIRT3MEN1KMT2ADRD2SMN1; SMN2
SCHEMBL7311801 0.73 SMN1; SMN2 (0.41) SIRT3MEN1KMT2ADRD2SMN1; SMN2
SCHEMBL7317245 0.69 PDE3B (0.44) MEN1KMT2AL3MBTL1CYP2D6CYP2C19
SCHEMBL7315213 0.68 L3MBTL1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1CYP2D6
SCHEMBL7308462 0.68 PDE3B (0.36) MEN1KMT2ADRD2SMN1; SMN2CNR1
SCHEMBL7318581 0.68 L3MBTL1 (0.41) SMN1; SMN2L3MBTL1CYP2D6CYP2C19KDM4E

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