SCHEMBL29313855

SCHEMBL29313855

CN(C(=O)Oc1c(-n2cc[nH]c2=S)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)c(Cl)c1F

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.37
POLB P06746 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL29314308 0.90 GAA (0.32) POLQTDP1
SCHEMBL31009122 0.85 POLQ (0.36) POLQ
SCHEMBL29313854 0.85 POLB (0.31) POLBAPOBEC3GTDP1
SCHEMBL29313852 0.83 POLQ (0.41) POLQ
SCHEMBL29313853 0.82 ALDH1A1 (0.31)
SCHEMBL30847639 0.79 POLQ (0.41) POLQ
SCHEMBL30847686 0.78 POLQ (0.41) POLQ
SCHEMBL29314114 0.78 POLQ (0.32) POLQPOLBAPOBEC3GTDP1
SCHEMBL29314307 0.78 GAA (0.32) POLQ
SCHEMBL29314303 0.75 POLQ (0.33) 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
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