SCHEMBL28515548

SCHEMBL28515548

CCc1ccc(OC)c(N(c2noc3c(C(=O)NC)cccc23)[SH](=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 2/20 0.40
▸ NR2F2 P24468 1/20 0.40
▸ PLK1 P53350 1/20 0.38
▸ LMNA P02545 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ GRK5 P34947 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL28521341 0.81 CCNC (0.43) PLK1LMNAPOLBKMT2ASMN1; SMN2
SCHEMBL28523011 0.75 SMN1; SMN2 (0.38) LMNAPOLBTP53SMN1; SMN2
SCHEMBL21596872 0.75 GALR3 (0.38) GALR3NR2F2GAAHSD17B10KMT2A
SCHEMBL29652519 0.75 GALR3 (0.38) GALR3NR2F2GAAHSD17B10KMT2A
SCHEMBL21596878 0.74 KAT6A (0.52) POLB
SCHEMBL21596821 0.66 MAPT (0.38) GALR3HPGDHSD17B10KMT2AHTT
SCHEMBL31605552 0.66 MAPT (0.38) GALR3HPGDHSD17B10KMT2AHTT
SCHEMBL21641938 0.65 KAT6A (0.54) POLB
SCHEMBL31605603 0.65 KAT6A (0.54) POLB
SCHEMBL29652477 0.65 KAT6A (0.54) POLB

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-112334466-A Compound (I) CTXT私人有限公司 2021-02-05 — — CN disclosed
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