SCHEMBL28620034

SCHEMBL28620034

COCCCC(=O)c1cccc(C(=O)O)c1N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.41
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MMP2 P08253 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC1 Q13547 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RECQL P46063 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
SCHEMBL29365462 0.83 MEN1 (0.49) G6PDCASP7CASP6HTTKMT2A
SCHEMBL27864020 0.80 HTT (0.51) G6PDCASP7CASP6HTTKMT2A
SCHEMBL27412787 0.80 HTT (0.51) G6PDCASP7CASP6HTTKMT2A
SCHEMBL27483873 0.80 HTT (0.51) G6PDCASP7CASP6HTTKMT2A
SCHEMBL27633055 0.80 HTT (0.51) G6PDCASP7CASP6HTTKMT2A
SCHEMBL28415093 0.80 HTT (0.51) G6PDCASP7CASP6HTTKMT2A
SCHEMBL28415272 0.80 HTT (0.51) G6PDCASP7CASP6HTTKMT2A
SCHEMBL11658216 0.80 HTT (0.51) G6PDCASP7CASP6HTTKMT2A
Methoxymethane SCHEMBL5903652 0.78 G6PD (0.63) G6PDCASP7CASP6HTTMAPK1
SCHEMBL17799521 0.77 G6PD (0.46) G6PDCASP7CASP6MAPK1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292539-A Substituted oxopyridine derivatives 拜耳制药股份公司 2021-08-24 CN disclosed
CN-108026072-B Substituted oxopyridine derivatives 拜耳制药股份公司 2021-08-17 CN disclosed