SCHEMBL29752158

SCHEMBL29752158

O=C(c1ccc(O)c(O)c1)c1nccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.56
IGFBP3 P17936 2/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
GAA P10253 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
PTGS2 P35354 1/20 0.44
SIRT1 Q96EB6 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
DBH P09172 1/20 0.40

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
SCHEMBL9369831 0.82 SLC22A6 (0.62) PLA2G7ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL11708241 0.79 PLA2G7 (0.55) PLA2G7ALDH1A1GAAMAPTL3MBTL1
SCHEMBL3830934 0.79 PLA2G7 (0.55) PLA2G7ALDH1A1MAPTRBBP9CYP1A2
SCHEMBL14419230 0.76 KCNMA1 (0.60) PLA2G7ALDH1A1KDM4ECA1CA2
SCHEMBL22823848 0.76 HPGD (0.59) PLA2G7ALDH1A1KDM4EGAAMAPT
SCHEMBL4116720 0.76 RAB9A (0.55) PLA2G7ALDH1A1CA1CA2GAA
SCHEMBL13606930 0.76 PLA2G7 (0.58) PLA2G7ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL2975694 0.76 RBBP9 (0.57) PLA2G7ALDH1A1L3MBTL1RBBP9ADORA2A
SCHEMBL3830939 0.76 MAPT (0.57) PLA2G7ALDH1A1KDM4EGAAMAPT
SCHEMBL1367377 0.75 PLA2G7 (0.51) PLA2G7ALDH1A1MAPTRECQLRBBP9

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
EP-4281442-A1 INHIBITORS OF DYRK AND PIM COLD SPRING HARBOR LABORATORY (US) 2023-11-29 EP disclosed
WO-2022159436-A1 INHIBITORS OF DYRK AND PIM COLD SPRING HARBOR LABORATORY (US) 2022-07-28 WO disclosed