SCHEMBL29451935

SCHEMBL29451935

CCOC(=O)Cn1ncc(F)c(C2CC2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PTGS2 P35354 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TOP2A P11388 1/20 0.38
▸ TOP2B Q02880 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ BRD4 O60885 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
SCHEMBL29452287 0.85 MEN1 (0.46) KMT2AMEN1POLBSMN1; SMN2PTGS2
SCHEMBL29452234 0.83 KDM4E (0.37) KMT2AMEN1POLBSMN1; SMN2KDM4E
SCHEMBL29451550 0.81 KMT2A (0.51) KMT2AMEN1GAAPOLBSMN1; SMN2
SCHEMBL10815353 0.79 MEN1 (0.49) KMT2AMEN1GAAPOLBSMN1; SMN2
SCHEMBL2888331 0.71 SMN1; SMN2 (0.51) KMT2AMEN1GAAPOLBSMN1; SMN2
SCHEMBL29451328 0.70 MEN1 (0.51) KMT2AMEN1GAAPOLBSMN1; SMN2
SCHEMBL2895158 0.70 ALDH1A1 (0.61) KMT2AMEN1GAAPOLBSMN1; SMN2
SCHEMBL29452000 0.70 POLB (0.51) KMT2AMEN1GAAPOLBSMN1; SMN2
SCHEMBL2896401 0.70 ALDH1A1 (0.66) KMT2AMEN1GAAPOLBSMN1; SMN2
SCHEMBL13844729 0.70 MEN1 (0.51) KMT2AMEN1GAAPOLBSMN1; 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-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 — — WO disclosed
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