SCHEMBL6613477

SCHEMBL6613477

COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2oc(N3CCOCC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
PAX8 Q06710 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 2/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
SLC6A5 Q9Y345 2/20 0.42
SLC6A9 P48067 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL6615567 0.81 MAPT (0.44) HTTALDH1A1MAPTKDM4EKMT2A
SCHEMBL6610665 0.80 MAPT (0.43) HTTALDH1A1MAPTKDM4EKMT2A
SCHEMBL6611735 0.80 PIK3CD (0.42) MAPK1HTTALDH1A1MAPTKDM4E
SCHEMBL6610918 0.79 MAPT (0.52) ALDH1A1MAPTKDM4EL3MBTL1KMT2A
SCHEMBL6963540 0.77 MAPT (0.49) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6173003 0.72 TP53 (0.56) MAPK1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL5795700 0.72 MAPT (0.56) HTTALDH1A1MAPTKDM4EKMT2A
SCHEMBL6610366 0.71 PIK3CD (0.43) HTTALDH1A1MAPTKDM4EKMT2A
SCHEMBL7253960 0.69 PDE4B (0.52) ALDH1A1MAPTKDM4EKMT2AHPGD
SCHEMBL6171996 0.69 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261605-B1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2004-11-10 EP disclosed
EP-1261605-A1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS Darwin Discovery Limited (GB) 2002-12-04 EP disclosed
US-6403791-B1 TREATMENT OF INFLAMMATORY DISEASES OR AUTOIMMUNE DISEASES IN HUMANS OR ANIMALS DARWIN DISCOVERY, LTD. (GB) 2002-06-11 US disclosed
WO-2001058896-A1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-08-16 WO disclosed