SCHEMBL29313928

SCHEMBL29313928

CN(C(=O)Oc1c(C(F)(F)F)cc(C(F)(F)F)nc1-c1nccs1)c1cc(Cl)c(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.33
SCN9A Q15858 1/20 0.31
LTC4S Q16873 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL29313926 0.86 POLQ (0.34) POLQSCN9A
SCHEMBL29313931 0.83 MEN1 (0.31) SCN9A
SCHEMBL29313948 0.82 POLQ (0.35) POLQ
SCHEMBL29313930 0.81 GAA (0.32)
SCHEMBL29313857 0.72 POLQ (0.33) POLQ
SCHEMBL30847810 0.70 POLQ (0.39) POLQ
SCHEMBL30847594 0.70 POLQ (0.39) POLQ
SCHEMBL29313945 0.70 POLQ (0.38) POLQ
SCHEMBL29313943 0.68 GPBAR1 (0.34) POLQSCN9A
SCHEMBL30638941 0.59 FSCN1 (0.51) POLQRORC

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