SCHEMBL4734738

SCHEMBL4734738

CCOC(=O)[C@H](Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 2/20 0.59
NFKB1 P19838 1/20 0.59
MAPK1 P28482 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ALDH1A1 P00352 4/20 0.42
BCL2 P10415 5/20 0.41
MCL1 Q07820 1/20 0.41
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TACR1 P25103 1/20 0.39
KLK5 Q9Y337 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL4733947 0.91 MAPT (0.52) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4786625 0.86 TDP1 (0.49) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4733396 0.85 KLK5 (0.41) MAPTITGB1ALDH1A1TACR1KLK5
SCHEMBL8250813 0.85 MAPT (0.49) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL12193561 0.85 MAPT (0.49) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL12317090 0.82 MAPT (0.58) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4735360 0.81 ITGA4 (0.62) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4730913 0.81 MAPT (0.67) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL30815412 0.80 MAPT (0.57) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL27227083 0.80 MAPT (0.57) MAPTNPC1RAB9ANFKB1MAPK1

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 4 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-2008064823-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR 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
WO-2008064823-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA, S.A. (BE) 2008-06-05 WO disclosed