SCHEMBL29314308

SCHEMBL29314308

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
POLQ O75417 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL29313855 0.90 POLQ (0.37) POLQTDP1
SCHEMBL29314307 0.85 GAA (0.32) GAAPOLQ
SCHEMBL29314318 0.84
SCHEMBL29314303 0.83 POLQ (0.33) GAAPOLQALDH1A1MAPTL3MBTL1
SCHEMBL29314305 0.82 POLQ (0.30) POLQ
SCHEMBL31009122 0.78 POLQ (0.36) POLQ
SCHEMBL29313854 0.78 POLB (0.31) TDP1
SCHEMBL29314114 0.76 POLQ (0.32) GAAPOLQALDH1A1TDP1
SCHEMBL29313853 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29313852 0.75 POLQ (0.41) POLQALDH1A1

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