SCHEMBL7174351

SCHEMBL7174351

COC(COc1ccc(F)cc1[N+](=O)[O-])OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.46
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.40
XDH P47989 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
SCHEMBL1136125 0.80 LMNA (0.54) HSPB1ATMTDP1ALDH1A1MAPT
SCHEMBL1136339 0.79 NPC1 (0.54) HSPB1ALDH1A1MAPTLMNAMAPK1
SCHEMBL232059 0.78 ALDH1A1 (0.61) HSPB1ATMTDP1ALDH1A1L3MBTL1
SCHEMBL1136016 0.78 MAPT (0.53) HSPB1ALDH1A1MAPTLMNAMAPK1
SCHEMBL22025631 0.77 MAPT (0.47) TDP1ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL31637112 0.77 MEN1 (0.44) ALDH1A1L3MBTL1MAPTKMT2AHPGD
SCHEMBL27778849 0.77 HSPB1 (0.48) HSPB1ATMTDP1ALDH1A1L3MBTL1
SCHEMBL16388497 0.76 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL28053828 0.75 L3MBTL1 (0.43) TDP1ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL6771960 0.75 HSPB1 (0.49) HSPB1ATMTDP1L3MBTL1MAPT

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
US-6573377-B1 Antitumor agent capable of showing its efficacy even against 5- FU drug resistant tumors DAIICHI PHARMACEUTICALS CO., LTD. (JP) 2003-06-03 US disclosed
EP-1103551-A1 PYRAZOLE DERIVATIVES AND SALTS THEREOF DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed