SCHEMBL7308539

SCHEMBL7308539

CC(O)c1cc(OCCCC(=O)NC2NCCc3ccccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
DRD2 P14416 1/20 0.35
LMNA P02545 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
PRCP P42785 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
SCHEMBL7320383 0.87 SMN1; SMN2 (0.47) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7311801 0.85 SMN1; SMN2 (0.41) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7311150 0.81 SIRT3 (0.47) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7312977 0.80 SIRT3 (0.43) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7308548 0.79 SIRT3 (0.39) SIRT3MEN1KMT2AALDH1A1MAPT
SCHEMBL7309722 0.76 SIRT3 (0.44) SIRT3MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7316032 0.76 SIRT3 (0.41) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7318574 0.74 MEN1 (0.41) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7318303 0.74 KDM4E (0.47) SIRT3SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7310463 0.73 SIRT3 (0.39) SIRT3SMN1; SMN2ALDH1A1MAPTKDM4E

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