SCHEMBL30908249

SCHEMBL30908249

COC(=O)c1cnc(Cl)c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 3/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
PSMD14 O00487 1/20 0.40
RAPGEF3 O95398 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
LMNA P02545 1/20 0.38
XDH P47989 1/20 0.38
CSNK2A1 P68400 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
VNN1 O95497 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2129547 1.00 TDP1 (0.44) TDP1ALDH1A1NPSR1MAPK1ATM
SCHEMBL719802 0.84 TDP1 (0.50) TDP1ALDH1A1NPSR1MAPK1GAA
SCHEMBL15582692 0.83 GAA (0.49) TDP1ALDH1A1MAPK1ATMGAA
SCHEMBL6118870 0.83 MAPK1 (0.44) TDP1ALDH1A1MAPK1ATMGAA
SCHEMBL27416287 0.81 TDP1 (0.48) TDP1ALDH1A1NPSR1MAPK1KDM4E
SCHEMBL4043719 0.81 CSF1R (0.49) ALDH1A1MAPK1ATMGAAKDM4E
SCHEMBL31133019 0.81 GAA (0.55) ALDH1A1MAPK1ATMGAAKDM4E
SCHEMBL31132686 0.81 GAA (0.55) ALDH1A1MAPK1ATMGAAKDM4E
SCHEMBL29877970 0.81 MAPK1 (0.42) TDP1ALDH1A1MAPK1ATMGAA
SCHEMBL31030191 0.80 ALDH1A1 (0.51) TDP1ALDH1A1NPSR1XDH

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-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed