SCHEMBL29108210

SCHEMBL29108210

CCOC(=O)c1cnc(CN=[N+]=[N-])cc1-c1c(F)cccc1OC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM7 Q14831 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ POLQ O75417 2/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL29694862 1.00 GRM7 (0.43) GRM7MAPTPOLQMEN1KMT2A
SCHEMBL24500450 0.86 GRM7 (0.48) GRM7MAPTPOLQMEN1KMT2A
SCHEMBL22717460 0.85 MAPT (0.42) MAPTMEN1KMT2A
SCHEMBL30640253 0.85 GRM7 (0.47) GRM7MAPTPOLQMEN1KMT2A
SCHEMBL24501582 0.85 GRM7 (0.47) GRM7MAPTPOLQMEN1KMT2A
SCHEMBL29694825 0.84 DPP4 (0.48) GRM7MAPTPOLQ
SCHEMBL24500447 0.84 DPP4 (0.48) GRM7MAPTPOLQ
SCHEMBL22717429 0.76 POLQ (0.48) POLQ
SCHEMBL29575480 0.76 POLQ (0.48) POLQ
SCHEMBL29694637 0.76 POLQ (0.48) POLQ

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
CN-117083271-A Substituted thiadiazolyl derivatives as DNA polymerase theta inhibitors 伊迪亚生物科学有限公司 2023-11-17 — — CN disclosed
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