SCHEMBL23490404

SCHEMBL23490404

CC(C)(C)C(=O)NC1CCC(NC(=O)O[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ TRPC5 Q9UL62 2/20 0.39
▸ TIPARP Q7Z3E1 7/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ DRD2 P14416 2/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ ACACB O00763 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
SCHEMBL23489798 1.00 POLB (0.42) POLBALDH1A1TRPC5TIPARPCKS1B
SCHEMBL23608250 1.00 POLB (0.42) POLBALDH1A1TRPC5TIPARPCKS1B
SCHEMBL23490328 0.92 POLB (0.48) POLBALDH1A1TRPC5TIPARP
SCHEMBL23573308 0.92 POLB (0.48) POLBALDH1A1TRPC5TIPARP
SCHEMBL23490459 0.91 POLB (0.44) POLBALDH1A1TRPC5TIPARPDRD2
SCHEMBL23490433 0.91 POLB (0.44) POLBALDH1A1TRPC5TIPARPDRD2
SCHEMBL23490486 0.91 DRD2 (0.44) POLBALDH1A1TRPC5TIPARPCKS1B
SCHEMBL23608203 0.91 POLB (0.44) POLBALDH1A1TRPC5TIPARPDRD2
SCHEMBL23489797 0.91 POLB (0.45) POLBALDH1A1TRPC5TIPARPKDM5A
SCHEMBL23608268 0.91 POLB (0.45) POLBALDH1A1TRPC5TIPARPKDM5A

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-2021113625-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2021-06-10 — — WO disclosed
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