SCHEMBL24640367

SCHEMBL24640367

CN1C(=O)[C@@H]2CN(I)CCN2c2ncc(C(F)(F)F)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 6/20 0.47
MDM2 Q00987 2/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
CXCR3 P49682 4/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL24640355 1.00 TIPARP (0.47) TIPARPMDM2LMNAALDH1A1HTT
SCHEMBL26958203 0.88 TIPARP (0.48) TIPARPMDM2LMNAALDH1A1HTT
SCHEMBL24640010 0.84 TIPARP (0.48) TIPARPMDM2LMNAALDH1A1HTT
SCHEMBL24639999 0.84 TIPARP (0.48) TIPARPMDM2LMNAALDH1A1HTT
SCHEMBL26915091 0.83 TIPARP (0.55) TIPARPMDM2LMNAALDH1A1SMN1; SMN2
SCHEMBL29841857 0.83 TIPARP (0.55) TIPARPMDM2LMNAALDH1A1SMN1; SMN2
SCHEMBL26914953 0.83 TIPARP (0.55) TIPARPMDM2LMNAALDH1A1SMN1; SMN2
SCHEMBL24640906 0.83 TIPARP (0.37) TIPARPMDM2LMNAALDH1A1HTT
SCHEMBL24639919 0.81 TIPARP (0.53) TIPARPMDM2LMNAALDH1A1SMN1; SMN2
SCHEMBL24639921 0.81 TIPARP (0.53) TIPARPMDM2LMNAALDH1A1SMN1; SMN2

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