SCHEMBL7147517

SCHEMBL7147517

CC(O)C(O)c1ccc(Nc2ncc(CC=O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 5/20 0.43
MAPK1 P28482 4/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCL1 Q07820 1/20 0.36
PTK2B Q14289 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL7015453 0.86 TDP1 (0.45) TDP1MAPTMAPK1POLBNPC1
SCHEMBL6441185 0.75 MAPT (0.48) TDP1MAPTMAPK1POLBNPC1
SCHEMBL1625372 0.69 MAPT (0.54) TDP1MAPTMAPK1POLBNPC1
SCHEMBL1625668 0.69 MAPT (0.54) TDP1MAPTMAPK1POLBNPC1
SCHEMBL7018740 0.68 KMT2A (0.50) TDP1MAPTMAPK1MEN1KMT2A
SCHEMBL7023968 0.68 PDE4B (0.32) MEN1KMT2A
SCHEMBL7012419 0.68 KMT2A (0.50) TDP1MAPTMAPK1MEN1KMT2A
SCHEMBL7016111 0.68 KMT2A (0.50) TDP1MAPTMAPK1MEN1KMT2A
SCHEMBL1624745 0.66 TDP1 (0.49) TDP1MAPTMAPK1POLBNPC1
SCHEMBL30815677 0.65 TDP1 (0.51) TDP1MAPTMAPK1POLBNPC1

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
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed