SCHEMBL24640010

SCHEMBL24640010

CC(C)N1CCN2c3ncc(C(F)(F)F)cc3N(C)C(=O)C2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 7/20 0.48
HRH3 Q9Y5N1 3/20 0.39
MDM2 Q00987 2/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
ACACB O00763 2/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
CBLB Q13191 1/20 0.33

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
SCHEMBL24639999 1.00 TIPARP (0.48) TIPARPHRH3MDM2NR1H2NR1H3
SCHEMBL24640747 0.90 TIPARP (0.40) TIPARPHRH3MDM2NR1H2NR1H3
SCHEMBL24640736 0.87 TIPARP (0.41) TIPARPHRH3MDM2NR1H2NR1H3
SCHEMBL24639351 0.87 TIPARP (0.41) TIPARPHRH3MDM2NR1H2NR1H3
SCHEMBL24639327 0.87 TIPARP (0.41) TIPARPHRH3MDM2NR1H2NR1H3
SCHEMBL26958203 0.86 TIPARP (0.48) TIPARPHRH3MDM2NR1H2NR1H3
SCHEMBL24639983 0.86 TIPARP (0.38) TIPARPHRH3MDM2NR1H2NR1H3
SCHEMBL24639326 0.85 TIPARP (0.51) TIPARPHRH3MDM2NR1H2NR1H3
SCHEMBL24639329 0.85 TIPARP (0.51) TIPARPHRH3MDM2NR1H2NR1H3
SCHEMBL24640695 0.85 TIPARP (0.36) TIPARPHRH3HTR1A

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-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 WO disclosed