SCHEMBL30165098

SCHEMBL30165098

O=C(c1cccc(Cc2c[nH]c(=O)c(C(F)(F)F)c2)c1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 9/20 0.75
PARP1 P09874 4/20 0.49
SLC6A7 Q99884 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MGLL Q99685 1/20 0.43
GPR52 Q9Y2T5 1/20 0.42

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
SCHEMBL24968300 1.00 TIPARP (0.75) TIPARPPARP1SLC6A7KDM4EMGLL
SCHEMBL30165104 0.87 TIPARP (0.57) TIPARPPARP1SLC6A7
SCHEMBL24968898 0.87 TIPARP (0.57) TIPARPPARP1SLC6A7
SCHEMBL24968384 0.86 TIPARP (0.59) TIPARPPARP1SLC6A7
SCHEMBL25270477 0.86 TIPARP (1.00) TIPARPPARP1
SCHEMBL24968878 0.85 TIPARP (0.57) TIPARPPARP1
SCHEMBL24968427 0.80 TIPARP (0.62) TIPARPPARP1SLC6A7KDM4EMGLL
SCHEMBL30165056 0.80 TIPARP (0.62) TIPARPPARP1SLC6A7KDM4EMGLL
SCHEMBL25229125 0.80 TIPARP (0.77) TIPARPPARP1
SCHEMBL24968208 0.80 TIPARP (0.59) 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