SCHEMBL24739152

SCHEMBL24739152

O=C(COC[C@@H]1CCN(c2cc(C(F)(F)F)c(=O)[nH]n2)C1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 19/20 0.61
PARP1 P09874 1/20 0.41

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
SCHEMBL25226094 0.90 TIPARP (0.65) TIPARPPARP1
SCHEMBL24739414 0.85 TIPARP (0.79) TIPARP
SCHEMBL24738978 0.85 TIPARP (0.79) TIPARP
SCHEMBL25697995 0.84 TIPARP (0.58) TIPARPPARP1
SCHEMBL25698190 0.83 TIPARP (0.61) TIPARPPARP1
SCHEMBL24739286 0.81 TIPARP (0.62) TIPARPPARP1
SCHEMBL24739155 0.80 CHRM2 (0.45) TIPARP
SCHEMBL24739062 0.80 TIPARP (0.59) TIPARP
SCHEMBL30859708 0.79 TIPARP (0.75) TIPARPPARP1
SCHEMBL25273450 0.79 TIPARP (0.57) TIPARPPARP1

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