SCHEMBL24640906

SCHEMBL24640906

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 4/20 0.37
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
CXCR3 P49682 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MDM2 Q00987 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL24640052 0.85 TIPARP (0.38) TIPARPLMNAALDH1A1HTTCXCR3
SCHEMBL24640020 0.85 TIPARP (0.38) TIPARPLMNAALDH1A1HTTCXCR3
SCHEMBL24640039 0.85 TIPARP (0.38) TIPARPLMNAALDH1A1HTTCXCR3
SCHEMBL29088844 0.84 TIPARP (0.42) TIPARPLMNASMN1; SMN2KMT2AMDM2
SCHEMBL24640367 0.83 TIPARP (0.47) TIPARPLMNAALDH1A1HTTCXCR3
SCHEMBL24640355 0.83 TIPARP (0.47) TIPARPLMNAALDH1A1HTTCXCR3
SCHEMBL24675215 0.81 TIPARP (0.42) TIPARPLMNASMN1; SMN2KMT2A
SCHEMBL24674970 0.80 HTR2C (0.48) TIPARPLMNAALDH1A1HTT
SCHEMBL24640555 0.80 TIPARP (0.48) TIPARP
SCHEMBL24675068 0.76 HTR2A (0.40)

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