SCHEMBL28825766

SCHEMBL28825766

O=c1[nH]nc(C=Cc2ccc(OC(F)F)cc2)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.43
▸ LMNA P02545 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 3/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ APP P05067 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ PRKCE Q02156 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ PRKCQ Q04759 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ CAMK2A Q9UQM7 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39

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
SCHEMBL28050047 0.86 DAO (0.43) PTGS2LMNANPC1MAPTMMP9
SCHEMBL28049926 0.82 PTGS2 (0.43) PTGS2LMNANPC1SMN1; SMN2RAB9A
SCHEMBL16228972 0.78 PTGS2 (0.50) PTGS2LMNANPC1SMN1; SMN2RAB9A
SCHEMBL16228971 0.78 PTGS2 (0.50) PTGS2LMNANPC1SMN1; SMN2RAB9A
SCHEMBL28949611 0.78 KDM4E (0.57) PTGS2LMNANPC1RAB9AMAPT
SCHEMBL14718728 0.72 DAO (0.51) LMNANPC1SMN1; SMN2RAB9AMAPT
SCHEMBL9605425 0.71 PTGS1 (0.59) PTGS2LMNANPC1SMN1; SMN2RAB9A
SCHEMBL28049929 0.70 MMP9 (0.43) PTGS2LMNANPC1SMN1; SMN2RAB9A
SCHEMBL9605424 0.67 LCK (0.55) PTGS2APPRELADRD1MAPK1
SCHEMBL11443825 0.65 F3 (0.59) PTGS2LMNANPC1SMN1; SMN2MAPT

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
CN-103748079-B Pyridazinone mixture and the purposes as DAAO inhibitor thereof TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-03-16 — — CN disclosed
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