SCHEMBL28049929

SCHEMBL28049929

Cc1cc(C=Cc2cc(O)c(=O)[nH]n2)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 2/20 0.43
▸ PTGS2 P35354 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ APP P05067 2/20 0.41
▸ PRKCE Q02156 2/20 0.41
▸ PRKCQ Q04759 2/20 0.41
▸ PRKCD Q05655 2/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ CAMK2A Q9UQM7 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL28049926 0.75 PTGS2 (0.43) MMP9PTGS2MAPTAPPPRKCE
SCHEMBL16228971 0.73 PTGS2 (0.50) MMP9PTGS2MAPTAPPPRKCE
SCHEMBL16228972 0.73 PTGS2 (0.50) MMP9PTGS2MAPTAPPPRKCE
SCHEMBL28949611 0.73 KDM4E (0.57) MMP9PTGS2MAPTAPPPRKCE
SCHEMBL30159699 0.71 DAO (0.53) KDRDAONOTUMPDE2A
SCHEMBL14718624 0.71 DAO (0.53) KDRDAONOTUMPDE2A
SCHEMBL28825766 0.70 PTGS2 (0.43) MMP9PTGS2MAPTAPPPRKCE
SCHEMBL28050047 0.68 DAO (0.43) MMP9PTGS2MAPTAPPPRKCE
SCHEMBL3560692 0.67 IAPP (0.51) APPKDM4EPOLBGAACYP1A2
SCHEMBL3560696 0.67 IAPP (0.51) APPKDM4EPOLBGAACYP1A2

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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