SCHEMBL29314303

SCHEMBL29314303

CC(C)N(C(=O)Oc1c(-n2cc[nH]c2=S)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
TACR1 P25103 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
GAA P10253 1/20 0.31
SCN8A Q9UQD0 1/20 0.30
SCN10A Q9Y5Y9 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
SCHEMBL29313852 0.88 POLQ (0.41) POLQTACR1ALDH1A1SCN8ASCN10A
SCHEMBL29314305 0.85 POLQ (0.30) POLQ
SCHEMBL29314307 0.84 GAA (0.32) POLQGAA
SCHEMBL29314308 0.83 GAA (0.32) POLQALDH1A1MAPTL3MBTL1FFAR4
SCHEMBL29314313 0.83 NPSR1 (0.31) HDAC8L3MBTL1
SCHEMBL31009145 0.78 POLQ (0.44) POLQFFAR4SCN8ASCN10A
SCHEMBL29314474 0.78 POLQ (0.44) POLQFFAR4SCN8ASCN10A
SCHEMBL31009165 0.76 POLQ (0.46) POLQFFAR4SCN8ASCN10A
SCHEMBL29313853 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29313854 0.75 POLB (0.31)

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