SCHEMBL24640945

SCHEMBL24640945

CC(C)N1CCN2c3ncc(C(F)(F)F)cc3NCC2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 4/20 0.40
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
ACACB O00763 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
OGA O60502 4/20 0.34
CBLB Q13191 1/20 0.34
EIF2AK4 Q9P2K8 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
SCHEMBL24640192 0.89 TIPARP (0.49) TIPARPMEN1GAAMAPTKMT2A
SCHEMBL24640231 0.89 TIPARP (0.49) TIPARPMEN1GAAMAPTKMT2A
SCHEMBL24640233 0.89 TIPARP (0.49) TIPARPMEN1GAAMAPTKMT2A
SCHEMBL24640032 0.85 NR1H2 (0.36) TIPARPHRH3NR1H2NR1H3ACACB
SCHEMBL24640033 0.85 NR1H2 (0.36) TIPARPHRH3NR1H2NR1H3ACACB
SCHEMBL24640053 0.85 NR1H2 (0.36) TIPARPHRH3NR1H2NR1H3ACACB
SCHEMBL24640054 0.83 TIPARP (0.38) TIPARPHRH3NR1H2NR1H3ACACB
SCHEMBL24640017 0.83 TIPARP (0.38) TIPARPHRH3NR1H2NR1H3ACACB
SCHEMBL24640800 0.83 TIPARP (0.38) TIPARPHRH3NR1H2NR1H3ACACB
SCHEMBL24639862 0.81 TIPARP (0.46) TIPARPHRH3NR1H2NR1H3ACACB

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