SCHEMBL6687145

SCHEMBL6687145

COCNC(=O)c1nc(-c2ccc(OCCOC(N)=O)cc2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MALT1 Q9UDY8 4/20 0.41
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6687149 0.84 L3MBTL1 (0.43) PTGS2L3MBTL1MALT1ALDH1A1
SCHEMBL6691333 0.77 L3MBTL1 (0.43) PTGS2L3MBTL1MALT1ALDH1A1KDM4E
SCHEMBL6210243 0.77 FFAR4 (0.44) PTGS2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6687455 0.75 PTGS2 (0.42) PTGS2L3MBTL1MALT1CYP1A2CYP2C9
SCHEMBL6680338 0.75 L3MBTL1 (0.43) PTGS2L3MBTL1MALT1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6685425 0.74 L3MBTL1 (0.43) PTGS2L3MBTL1MALT1ALDH1A1CYP1A2
SCHEMBL6208572 0.74 MALT1 (0.45) PTGS2MALT1
SCHEMBL6210679 0.73 BCL2 (0.43) PTGS2LMNA
SCHEMBL6685914 0.73 L3MBTL1 (0.41) PTGS2L3MBTL1MALT1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6686163 0.73 L3MBTL1 (0.42) PTGS2L3MBTL1MALT1HDAC1

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