SCHEMBL25918285

SCHEMBL25918285

Oc1ccc2c(c1)sc1nncn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 17/20 1.00
PARP2 Q9UGN5 16/20 1.00
PARP15 Q460N3 16/20 1.00
PARP10 Q53GL7 14/20 1.00
PARP14 Q460N5 2/20 1.00
TNKS O95271 1/20 1.00
PARP1 P09874 1/20 1.00
PARP11 Q9NR21 1/20 1.00
PARP4 Q9UKK3 1/20 1.00
PARP3 Q9Y6F1 1/20 1.00
BRPF1 P55201 1/20 0.43
HCAR2 Q8TDS4 2/20 0.37
CYP2C9 P11712 1/20 0.36

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
SCHEMBL25324487 0.80 PARP2 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL25324223 0.76 TNKS2 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL25324784 0.76 TNKS2 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL2489012 0.75 TNKS2 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL11745014 0.73 TNKS2 (0.72) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL11748893 0.72 TNKS2 (0.66) TNKS2PARP2PARP15PARP10PARP14
Sulfuric Acid SCHEMBL11745970 0.71 TNKS2 (0.81) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL25324482 0.70 TNKS2 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL25324810 0.70 PARP2 (0.67) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL18561321 0.69 TNKS (0.52) TNKS2PARP2PARP15PARP10PARP14

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-2023144450-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS OULUN YLIOPISTO (FI) 2023-08-03 WO disclosed