SCHEMBL24739237

SCHEMBL24739237

O=C([C@@H]1C[C@H](O)CN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 17/20 0.61
TNKS O95271 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP12 Q9H0J9 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP11 Q9NR21 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PARP1 P09874 2/20 0.42
LCAT P04180 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
SCHEMBL24739240 0.88 TIPARP (0.58) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL24739457 0.88 TIPARP (0.58) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25220590 0.87 TIPARP (0.67) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL24739463 0.86 TIPARP (0.58) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL24739236 0.86 TIPARP (0.58) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25698183 0.85 TIPARP (0.73) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL24739450 0.85 TIPARP (0.77) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL24739449 0.85 TIPARP (0.77) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL25270498 0.85 TIPARP (0.73) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25221394 0.85 TIPARP (0.73) 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-2022253101-A1 PYRIDAZINONE COMPOUND AS PARP7 INHIBITOR 上海优理惠生医药有限公司 2022-12-08 WO disclosed