SCHEMBL4733947

SCHEMBL4733947

CCOC(=O)[C@H](Cc1cccc(Nc2ncccc2[N+](=O)[O-])c1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPK1 P28482 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
CTSB P07858 2/20 0.40
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
TACR1 P25103 1/20 0.40
KLK5 Q9Y337 1/20 0.40
CTSL P07711 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL4734738 0.91 MAPT (0.59) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL4733395 0.82 MAPT (0.58) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL4736051 0.82 ITGB1 (0.54) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL4786625 0.81 TDP1 (0.49) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL4733108 0.79 ITGA4 (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3823774 0.79 ITGA4 (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8250813 0.78 MAPT (0.49) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL12193561 0.78 MAPT (0.49) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL7880521 0.77 MAPT (0.48) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL3815413 0.76 ALDH1A1 (0.50) MAPTALDH1A1CTSSCTSKCTSB

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-2008064823-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR 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 disclosed