SCHEMBL7015453

SCHEMBL7015453

C[C@H](O)Cc1ccc(Nc2ncc(CC=O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 6/20 0.44
MAPK1 P28482 3/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MCL1 Q07820 1/20 0.37
PTK2B Q14289 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
JAK2 O60674 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL6441185 0.89 MAPT (0.48) TDP1MAPTMAPK1POLBKMT2A
SCHEMBL7147517 0.86 TDP1 (0.44) TDP1MAPTMAPK1POLBKMT2A
SCHEMBL1625372 0.83 MAPT (0.54) TDP1MAPTMAPK1POLBKMT2A
SCHEMBL1625668 0.83 MAPT (0.54) TDP1MAPTMAPK1POLBKMT2A
SCHEMBL7018740 0.82 KMT2A (0.50) TDP1MAPTMAPK1KMT2AMEN1
SCHEMBL7012419 0.82 KMT2A (0.50) TDP1MAPTMAPK1KMT2AMEN1
SCHEMBL7016111 0.82 KMT2A (0.50) TDP1MAPTMAPK1KMT2AMEN1
SCHEMBL7023968 0.82 PDE4B (0.32) KMT2AMEN1
SCHEMBL6385052 0.76 MAPT (0.39) TDP1MAPTMAPK1POLBKMT2A
SCHEMBL1624653 0.70 KMT2A (0.45) TDP1MAPTMAPK1POLBKMT2A

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