SCHEMBL7336986

SCHEMBL7336986

CC(C(=O)O)n1c(=O)[nH][nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HCRTR1 O43613 1/20 0.45
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.33
▸ USP5 P45974 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL27524563 0.82 CSNK2A2 (0.37) KDM4EMAPTALDH1A1GAACSNK2A2
SCHEMBL6526383 0.77 CSNK2A2 (0.37) KDM4EMAPTALDH1A1GAACSNK2A2
SCHEMBL3507651 0.77 CSNK2A2 (0.43) KDM4EMAPTALDH1A1GAACSNK2A2
SCHEMBL2032749 0.77 CSNK2A2 (0.43) KDM4EMAPTALDH1A1GAACSNK2A2
SCHEMBL7344015 0.73 CSNK2A2 (0.34) MAPTALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL27628887 0.71 MAPT (0.38) KDM4EMAPTALDH1A1GAACSNK2A2
SCHEMBL29251525 0.71 APEX1 (0.35) KDM4EMAPTALDH1A1CSNK2A2CSNK2B
SCHEMBL1729905 0.68 KMT2A (0.38) KDM4EMAPTALDH1A1GAACSNK2A2
SCHEMBL18180382 0.66 KMT2A (0.45) KDM4EGAAKMT2AUSP5CASP1
SCHEMBL11397353 0.65 ALDH1A1 (0.41) KDM4EMAPTALDH1A1GAACSNK2A2

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
US-4307094-A ANTIHYPERTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-12-22 — — US disclosed
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