SCHEMBL29575480

SCHEMBL29575480

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 3/20 0.48
▸ GPBAR1 Q8TDU6 3/20 0.41
▸ HTR5A P47898 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CTSA P10619 3/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38

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
SCHEMBL22717429 1.00 POLQ (0.48) POLQGPBAR1HTR5ALRRK2KDM4E
SCHEMBL29694637 1.00 POLQ (0.48) POLQGPBAR1HTR5ALRRK2KDM4E
SCHEMBL24770167 0.91 POLQ (0.43) POLQGPBAR1HTR5ALRRK2KDM4E
SCHEMBL30017759 0.91 POLQ (0.43) POLQGPBAR1HTR5ALRRK2KDM4E
SCHEMBL24501582 0.90 GRM7 (0.47) POLQ
SCHEMBL30640253 0.90 GRM7 (0.47) POLQ
SCHEMBL22717310 0.90 POLQ (0.46) POLQGPBAR1HTR5ALRRK2CTSA
SCHEMBL25306864 0.85 POLQ (0.63) POLQGPBAR1KDM4ECTSAABL1
SCHEMBL30526637 0.85 POLQ (0.63) POLQGPBAR1KDM4ECTSAABL1
SCHEMBL29198977 0.84 POLQ (0.49) POLQGPBAR1HTR5ALRRK2KDM4E

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
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 — — EP disclosed
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