SCHEMBL28523011

SCHEMBL28523011

CCc1ccc(OC)c(N(c2noc3ccc(CNC(=O)OC)cc23)[SH](=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TRPV1 Q8NER1 3/20 0.35

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 0.83 CCNC (0.43) SMN1; SMN2POLBMAPTALDH1A1LMNA
SCHEMBL24429772 0.82 KAT6A (0.39) SMN1; SMN2POLBMAPTTP53THRB
SCHEMBL24429774 0.76 KAT7 (0.39) SMN1; SMN2POLBMAPTTP53THRB
SCHEMBL28515548 0.75 GALR3 (0.40) SMN1; SMN2POLBTP53LMNA
SCHEMBL21660440 0.74 KAT6A (0.55) —
SCHEMBL21641920 0.69 KMT2A (0.36) SMN1; SMN2POLBMAPTTP53TSHR
SCHEMBL21596801 0.69 KAT6A (0.55) —
SCHEMBL21641916 0.68 KMT2A (0.39) SMN1; SMN2POLBMAPTTP53TSHR
SCHEMBL26064445 0.63 ALDH1A1 (0.56) POLBTSHRALDH1A1TRPV1
SCHEMBL21257487 0.63 CSNK2A2 (0.41) SMN1; SMN2POLBMAPTTP53THRB

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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