SCHEMBL30165104

SCHEMBL30165104

Cc1cc(Cc2c[nH]c(=O)c(C(F)(F)F)c2)cc(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 12/20 0.57
PARP1 P09874 1/20 0.45
MEN1 O00255 2/20 0.41
CYP2C9 P11712 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A7 Q99884 2/20 0.39
TRPV4 Q9HBA0 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL24968898 1.00 TIPARP (0.57) TIPARPPARP1MEN1CYP2C9KMT2A
SCHEMBL30165098 0.87 TIPARP (0.75) TIPARPPARP1SLC6A7
SCHEMBL24968300 0.87 TIPARP (0.75) TIPARPPARP1SLC6A7
SCHEMBL24968384 0.82 TIPARP (0.59) TIPARPPARP1MEN1CYP2C9KMT2A
SCHEMBL24968878 0.81 TIPARP (0.57) TIPARPPARP1
SCHEMBL24968208 0.80 TIPARP (0.59) TIPARP
SCHEMBL24968905 0.78 TIPARP (0.49) TIPARPPARP1
SCHEMBL24968189 0.78 TIPARP (0.65) TIPARPPARP1CYP2C9
SCHEMBL27233733 0.77 TIPARP (0.68) TIPARPPARP1CYP2C9
SCHEMBL24968230 0.76 TIPARP (0.54) TIPARPPPARGPPARDPPARA

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