SCHEMBL26026675

SCHEMBL26026675

CN1CCCc2c1nc(C1CCNC1)[nH]c2=O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.42
▸ TNKS O95271 19/20 0.42
▸ TNKS2 Q9H2K2 19/20 0.42

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
Hydrochloric Acid SCHEMBL25362390 0.99 PARP1 (0.41) PARP1TNKSTNKS2
SCHEMBL16701424 0.72 TNKS (0.61) PARP1TNKSTNKS2
SCHEMBL20954788 0.72 TNKS (0.51) PARP1TNKSTNKS2
SCHEMBL26018017 0.72 TNKS (0.48) PARP1TNKSTNKS2
SCHEMBL25360883 0.72 HPGDS (0.45) PARP1TNKSTNKS2
SCHEMBL25362011 0.72 HPGDS (0.45) PARP1TNKSTNKS2
SCHEMBL3023146 0.68 HTR3A (0.38) —
SCHEMBL18058753 0.68 TNKS (0.65) PARP1TNKSTNKS2
SCHEMBL22727814 0.65 PARP1 (0.56) PARP1
SCHEMBL5523718 0.65 PARP1 (0.56) PARP1

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-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 — — WO disclosed
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