SCHEMBL4736909

SCHEMBL4736909

CCOC(=O)[C@H](Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1)NC1=CC(=O)C1(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ELANE P08246 1/20 0.35
GAA P10253 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
SCHEMBL4733784 0.88 MAPT (0.52) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4736663 0.86 ITGB1 (0.44) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4736687 0.82 MAPT (0.48) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4734050 0.81 LMNA (0.41) MAPTITGB1ITGA4ALDH1A1SMN1; SMN2
SCHEMBL4730913 0.79 MAPT (0.67) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4734738 0.79 MAPT (0.59) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL5149363 0.78 ITGB1 (0.43) MAPTNPC1RAB9AITGB1ITGA4
SCHEMBL4736967 0.77 TDP1 (0.44) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4735360 0.76 ITGA4 (0.62) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4734251 0.76 PPID (0.46) ITGB1ITGA4LMNAELANECYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008064830-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES UCB PHARMA, S.A. (BE) 2008-06-05 WO claimed
WO-2008064830-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES UCB PHARMA, S.A. (BE) 2008-06-05 WO disclosed