SCHEMBL24640409

SCHEMBL24640409

C=CC(C)N1CCN2c3ncc(C(F)(F)F)cc3N(C=C)C(=O)[C@H]2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 7/20 0.49
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MDM2 Q00987 2/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
ACACB O00763 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CBLB Q13191 1/20 0.31
CXCR3 P49682 3/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL24640728 0.92 TIPARP (0.51) TIPARPALDH1A1LMNAHTTMDM2
SCHEMBL24639326 0.92 TIPARP (0.51) TIPARPALDH1A1LMNAHTTMDM2
SCHEMBL24639329 0.92 TIPARP (0.51) TIPARPALDH1A1LMNAHTTMDM2
SCHEMBL24639908 0.80 TIPARP (0.54) TIPARPALDH1A1LMNAMDM2SMN1; SMN2
SCHEMBL24639906 0.80 TIPARP (0.54) TIPARPALDH1A1LMNAMDM2SMN1; SMN2
SCHEMBL24640544 0.80 TIPARP (0.54) TIPARPALDH1A1LMNAMDM2SMN1; SMN2
SCHEMBL24640747 0.78 TIPARP (0.40) TIPARPALDH1A1LMNAHTTMDM2
SCHEMBL24639999 0.77 TIPARP (0.48) TIPARPALDH1A1LMNAHTTMDM2
SCHEMBL24640010 0.77 TIPARP (0.48) TIPARPALDH1A1LMNAHTTMDM2
SCHEMBL24639327 0.76 TIPARP (0.41) TIPARPALDH1A1LMNAHTTMDM2

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