SCHEMBL24968872

SCHEMBL24968872

O=C(O[C@H]1CCCC1c1c[nH]c(=O)c(C(F)(F)F)c1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 18/20 0.46
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL24968404 1.00 TIPARP (0.46) TIPARPHRH3MEN1KMT2A
SCHEMBL24968432 1.00 TIPARP (0.46) TIPARPHRH3MEN1KMT2A
SCHEMBL27233724 1.00 TIPARP (0.46) TIPARPHRH3MEN1KMT2A
SCHEMBL24968402 1.00 TIPARP (0.46) TIPARPHRH3MEN1KMT2A
SCHEMBL27233754 0.87 TIPARP (0.53) TIPARP
SCHEMBL24968386 0.87 TIPARP (0.53) TIPARP
SCHEMBL24968877 0.87 TIPARP (0.53) TIPARP
SCHEMBL24968894 0.86 TIPARP (0.47) TIPARPMEN1KMT2A
SCHEMBL24968339 0.86 TIPARP (0.54) TIPARP
SCHEMBL24968935 0.86 TIPARP (0.54) TIPARP

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-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed