SCHEMBL24740462

SCHEMBL24740462

O=C(CC[C@H]1CCCN1c1cc(C(F)(F)F)c(OCc2ccccc2)nn1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 11/20 0.64
CHRM2 P08172 6/20 0.43
CHRM1 P11229 5/20 0.43
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
CHRM3 P20309 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL24739041 1.00 TIPARP (0.64) TIPARPCHRM2CHRM1KDM4EPOLB
SCHEMBL24739385 0.93 TIPARP (0.54) TIPARPCHRM2CHRM1
SCHEMBL24739383 0.86 TIPARP (0.47) TIPARPCHRM2CHRM1CHRM3
SCHEMBL24739046 0.86 TIPARP (0.42) TIPARP
SCHEMBL24740459 0.86 TIPARP (0.42) TIPARP
SCHEMBL28915016 0.84 TIPARP (0.72) TIPARPCHRM2CHRM1
SCHEMBL28915019 0.84 TIPARP (0.72) TIPARPCHRM2CHRM1
SCHEMBL24740461 0.81 POLB (0.39) TIPARPKDM4EPOLB
SCHEMBL24739045 0.81 POLB (0.39) TIPARPKDM4EPOLB
SCHEMBL25272747 0.78 TIPARP (1.00) 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-2022253101-A1 PYRIDAZINONE COMPOUND AS PARP7 INHIBITOR 上海优理惠生医药有限公司 2022-12-08 WO disclosed