SCHEMBL29198977

SCHEMBL29198977

COC(=O)c1cnc(N)cc1-c1c(F)cccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 3/20 0.49
▸ RPS6KA2 Q15349 2/20 0.43
▸ GABRA1 P14867 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ HTR5A P47898 1/20 0.42
▸ LRRK2 Q5S007 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ CSF1R P07333 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 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
SCHEMBL30526637 0.87 POLQ (0.63) POLQKDM4EABL1SRCGPBAR1
SCHEMBL25306864 0.87 POLQ (0.63) POLQKDM4EABL1SRCGPBAR1
SCHEMBL29575480 0.84 POLQ (0.48) POLQGABRA1GABRG2GABRB3GABRA5
SCHEMBL22717429 0.84 POLQ (0.48) POLQGABRA1GABRG2GABRB3GABRA5
SCHEMBL29694637 0.84 POLQ (0.48) POLQGABRA1GABRG2GABRB3GABRA5
SCHEMBL30526837 0.77 POLQ (0.53) POLQCSF1RABL1
SCHEMBL30640062 0.77 POLQ (0.60) POLQHTR5ACSF1R
SCHEMBL30640089 0.77 POLQ (0.60) POLQHTR5ACSF1R
SCHEMBL30640087 0.77 POLQ (0.60) POLQHTR5ACSF1R
SCHEMBL24770167 0.77 POLQ (0.43) POLQGABRA1GABRG2GABRB3GABRA5

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-117794927-A O-linked thiadiazolyl compounds as inhibitors of DNA polymerase theta 伊迪亚生物科学有限公司 2024-03-29 — — CN disclosed
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