SCHEMBL6691333

SCHEMBL6691333

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 3/20 0.39
MALT1 Q9UDY8 1/20 0.38
OXTR P30559 2/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
P2RX7 Q99572 1/20 0.35
CASR P41180 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMO Q99835 1/20 0.34

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) L3MBTL1PTGS2MALT1OXTRKDM4E
SCHEMBL6687149 0.90 L3MBTL1 (0.43) L3MBTL1PTGS2MALT1OXTRALDH1A1
Hydrochloric Acid SCHEMBL6686163 0.90 L3MBTL1 (0.42) L3MBTL1PTGS2MALT1OXTRPIK3CA
SCHEMBL6687312 0.88 L3MBTL1 (0.38) L3MBTL1PTGS2MALT1OXTRALDH1A1
SCHEMBL6686978 0.83 MEN1 (0.46) L3MBTL1PTGS2OXTRKDM4EALDH1A1
SCHEMBL6687455 0.81 PTGS2 (0.42) L3MBTL1PTGS2MALT1PIK3CAP2RX7
SCHEMBL5147693 0.79 MALT1 (0.41) PTGS2MALT1PIK3CAPIK3CGP2RX7
SCHEMBL6682093 0.79 MALT1 (0.41) L3MBTL1PTGS2MALT1
SCHEMBL5152154 0.78 OXTR (0.38) PTGS2OXTRPIK3CAPIK3CGP2RX7
SCHEMBL6681832 0.78 PTGS1 (0.57) L3MBTL1PTGS2MALT1P2RX7

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