SCHEMBL23298737

SCHEMBL23298737

C=C(O)CCCSc1cccc2c1CN(C(CCC=O)C(=O)NC)C2=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 3/20 0.34
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LPAR2 Q9HBW0 1/20 0.32
▸ LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL23298823 0.85 KDM4E (0.36) KDM4EALOX15ALDH1A1POLBTP53
SCHEMBL24160755 0.83 KDM4E (0.38) KDM4EALOX15ALDH1A1POLBTP53
SCHEMBL24160437 0.82 NPSR1 (0.39) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL24160612 0.82 ALDH1A1 (0.32) KDM4EALOX15ALDH1A1POLBTP53
SCHEMBL24160064 0.81 ALDH1A1 (0.32) KDM4EALOX15ALDH1A1POLBTP53
SCHEMBL24160213 0.79 THRB (0.38) KDM4EALOX15ALDH1A1POLBTP53
SCHEMBL23129062 0.79 MAPT (0.40) KDM4EALOX15ALDH1A1POLBMAPT
SCHEMBL23934357 0.79 ALDH1A1 (0.37) KDM4EALOX15ALDH1A1POLBTP53
SCHEMBL23739877 0.78 MAPT (0.38) KDM4EALOX15ALDH1A1POLBTP53
SCHEMBL13258696 0.78 THRB (0.38) KDM4EALOX15ALDH1A1POLBTP53

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-2021078301-A1 PROTEIN DEGRADING AGENT AND USE THEREOF IN TREATMENT OF DISEASES 上海科技大学 2021-04-29 — — WO disclosed
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