SCHEMBL31056064

SCHEMBL31056064

O=Cc1c(O)ccn2ncc(C(=O)O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ERN1 O75460 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NR4A3 Q92570 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ EPHB3 P54753 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ HMGB1 P09429 1/20 0.31
▸ CA4 P22748 1/20 0.31

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
SCHEMBL31056284 0.80 SMN1; SMN2 (0.46) ERN1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL31150987 0.77 L3MBTL1 (0.43) L3MBTL1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL28650156 0.69 FGFR4 (0.44) L3MBTL1SMN1; SMN2KDM4EHSD17B10GAA
SCHEMBL20482473 0.69 CA1 (0.41) L3MBTL1SMN1; SMN2POLBMAPTHSD17B10
SCHEMBL1702440 0.68 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL28801140 0.68 EPHB3 (0.43) L3MBTL1KDM4EHPGDMAPTMAPK1
SCHEMBL1701947 0.68 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL28630040 0.68 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL31205135 0.68 ALDH1A1 (0.47) L3MBTL1ALDH1A1KDM4EPOLBHPGD
SCHEMBL22777570 0.67 EIF4A3 (0.45) L3MBTL1ALDH1A1SMN1; SMN2POLBMAPT

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
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 — — WO disclosed
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