SCHEMBL26017983

SCHEMBL26017983

CN1CCCc2c1nc[nH]c2=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 16/20 0.43
▸ PARP1 P09874 16/20 0.43
▸ TNKS2 Q9H2K2 16/20 0.43
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL26018420 0.80 HPRT1 (0.36) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL8499455 0.70 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL8485777 0.70 CYP2C19 (0.39) ALDH1A1
SCHEMBL20954788 0.69 TNKS (0.51) TNKSPARP1TNKS2
SCHEMBL26018017 0.69 TNKS (0.48) TNKSPARP1TNKS2
SCHEMBL9184240 0.68 PARP1 (0.51) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL2624085 0.67 TSHR (0.49) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL3542410 0.67 NPSR1 (0.49) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL13081092 0.67 HTR2A (0.46) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL15468376 0.67 ALDH1A1 (0.39) PARP1ALDH1A1HPGDCHEK1

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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