SCHEMBL24763586

SCHEMBL24763586

CC(C)(C)OC(=O)N1CCN2c3ncc(C(F)(F)F)cc3OC[C@@H]2C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 19/20 0.53
PARP2 Q9UGN5 4/20 0.51
PARP1 P09874 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PARP12 Q9H0J9 1/20 0.51
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL30720000 1.00 TIPARP (0.53) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL30658106 1.00 TIPARP (0.53) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL30658107 1.00 TIPARP (0.53) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL14465885 1.00 TIPARP (0.53) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL30658120 1.00 TIPARP (0.53) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24763920 0.94 TIPARP (0.51) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24954330 0.90 TIPARP (0.54) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL29841910 0.90 TIPARP (0.46) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL29841921 0.90 TIPARP (0.46) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24764603 0.88 TIPARP (0.42) TIPARPPARP2PARP1CYP2C9CYP2C19

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-2022184103-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 武汉誉祥医药科技有限公司 2022-09-09 WO disclosed