SCHEMBL29313945

SCHEMBL29313945

CN(C(=O)Oc1c(-c2nccs2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)c(Cl)c1F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.38
GPBAR1 Q8TDU6 13/20 0.35
S1PR1 P21453 1/20 0.33
LIPE Q05469 3/20 0.33
CTSA P10619 1/20 0.31

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
SCHEMBL29313943 0.84 GPBAR1 (0.34) POLQGPBAR1S1PR1LIPECTSA
SCHEMBL29313926 0.84 POLQ (0.34) POLQGPBAR1
SCHEMBL29313937 0.82 POLQ (0.42) POLQGPBAR1S1PR1LIPE
SCHEMBL29313940 0.82 S1PR1 (0.35) POLQGPBAR1S1PR1CTSA
SCHEMBL30847686 0.80 POLQ (0.41) POLQGPBAR1LIPE
SCHEMBL29314063 0.79 POLQ (0.39) POLQGPBAR1LIPE
SCHEMBL29316884 0.76 POLQ (0.38) POLQGPBAR1LIPE
SCHEMBL30847639 0.73 POLQ (0.41) POLQGPBAR1
SCHEMBL30847616 0.73 GPBAR1 (0.36) POLQGPBAR1LIPE
SCHEMBL29315103 0.69 POLQ (0.37) POLQGPBAR1

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-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed