SCHEMBL6441185

SCHEMBL6441185

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
MAPK1 P28482 3/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MCL1 Q07820 1/20 0.38
PTK2B Q14289 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
JAK2 O60674 1/20 0.38
ALDH5A1 P51649 1/20 0.37

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 0.89 TDP1 (0.45) MAPTMAPK1POLBTDP1L3MBTL1
SCHEMBL1625668 0.84 MAPT (0.54) MAPTMAPK1POLBTDP1L3MBTL1
SCHEMBL1625372 0.84 MAPT (0.54) MAPTMAPK1POLBTDP1L3MBTL1
SCHEMBL6385052 0.78 MAPT (0.39) MAPTMAPK1POLBTDP1KMT2A
SCHEMBL7147517 0.75 TDP1 (0.44) MAPTMAPK1POLBTDP1L3MBTL1
SCHEMBL7016111 0.74 KMT2A (0.50) MAPTMAPK1TDP1L3MBTL1KMT2A
SCHEMBL7018740 0.74 KMT2A (0.50) MAPTMAPK1TDP1L3MBTL1KMT2A
SCHEMBL7012419 0.74 KMT2A (0.50) MAPTMAPK1TDP1L3MBTL1KMT2A
SCHEMBL7023968 0.72 PDE4B (0.32) KMT2AMEN1
SCHEMBL1624653 0.71 KMT2A (0.45) MAPTMAPK1POLBTDP1L3MBTL1

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-1499305-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES Pfizer Japan Inc. (JP) 2005-01-26 EP disclosed
WO-2003086371-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed