SCHEMBL31410481

SCHEMBL31410481

CC(C)(c1cc(C(F)(F)F)c(=O)[nH]n1)N1CC(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 18/20 0.56
TNKS O95271 1/20 0.49
PARP14 Q460N5 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP12 Q9H0J9 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP11 Q9NR21 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
PARP1 P09874 2/20 0.45

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
SCHEMBL31410474 0.81 TIPARP (0.64) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL31410452 0.81 TIPARP (0.55) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL31410496 0.81 TIPARP (0.55) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25698190 0.80 TIPARP (0.61) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL31410420 0.79 TIPARP (0.63) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL31410422 0.79 TIPARP (0.63) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL31410411 0.79 TIPARP (0.54) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25271461 0.78 TIPARP (0.62) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25218611 0.78 TIPARP (0.62) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25262944 0.78 TIPARP (0.62) TIPARPTNKSPARP14PARP10PARP12

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-2025045246-A1 PARP7 INHIBITOR AND USE THEREOF 重庆华森英诺生物科技有限公司 2025-03-06 WO disclosed