SCHEMBL6690184

SCHEMBL6690184

COc1ccc(-n2nc(C(=O)N(C)OC)nc2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
PTGS2 P35354 6/20 0.47
MDM2 Q00987 2/20 0.45
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
PTGS1 P23219 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL6686978 0.90 MEN1 (0.46) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL6686314 0.84 L3MBTL1 (0.59) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL6682894 0.83 ALDH1A1 (0.62) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL6681813 0.81 PTGS1 (0.52) L3MBTL1HPGDPTGS2MDM2BCL2
SCHEMBL6681657 0.80 PTGS1 (0.52) L3MBTL1MAPTALDH1A1PTGS2MDM2
SCHEMBL6685965 0.77 PTGS1 (0.53) L3MBTL1PTGS2MDM2BCL2MCL1
SCHEMBL6683341 0.77 PTGS1 (0.58) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL6685914 0.76 L3MBTL1 (0.41) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL6684498 0.75 KMT2A (0.48) L3MBTL1MAPTALDH1A1HPGDMDM2
SCHEMBL6684522 0.75 MEN1 (0.48) L3MBTL1MAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004060367-A1 IMIDAZOLE AND TRIAZOLE DERIVATIVES USEFUL AS SELECTIVE COX-1 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-22 WO disclosed