SCHEMBL6687149

SCHEMBL6687149

COc1ccc(-n2nc(C(=O)N(C)OC)nc2-c2ccc(OCCOC(N)=O)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 7/20 0.37
MALT1 Q9UDY8 1/20 0.36
OXTR P30559 2/20 0.35
ALDH1A1 P00352 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PTGS1 P23219 4/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL6685914 0.90 L3MBTL1 (0.41) L3MBTL1PTGS2MALT1OXTRALDH1A1
SCHEMBL6691333 0.90 L3MBTL1 (0.43) L3MBTL1PTGS2MALT1OXTRALDH1A1
Hydrochloric Acid SCHEMBL6686163 0.90 L3MBTL1 (0.42) L3MBTL1PTGS2MALT1OXTRPTGS1
SCHEMBL6687312 0.85 L3MBTL1 (0.38) L3MBTL1PTGS2MALT1OXTRALDH1A1
SCHEMBL6687145 0.84 PTGS2 (0.44) L3MBTL1PTGS2MALT1ALDH1A1
SCHEMBL6686978 0.83 MEN1 (0.46) L3MBTL1PTGS2OXTRALDH1A1PKM
SCHEMBL6210243 0.77 FFAR4 (0.44) PTGS2ALDH1A1MKNK1MKNK2
SCHEMBL6680338 0.75 L3MBTL1 (0.43) L3MBTL1PTGS2MALT1OXTRALDH1A1
SCHEMBL6208574 0.75 MDM2 (0.41) PTGS2MALT1OXTRPTGS1
Hydrochloric Acid SCHEMBL6685425 0.75 L3MBTL1 (0.43) L3MBTL1PTGS2MALT1ALDH1A1PTGS1

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