SCHEMBL29314473

SCHEMBL29314473

CN(C(=O)Oc1c(-n2ccn(C(=O)OC(C)(C)C)c2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.39
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TACR1 P25103 3/20 0.31
RXRA P19793 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
LIPE Q05469 3/20 0.30
CMA1 P23946 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
SCHEMBL30847572 1.00 POLQ (0.39) POLQCACNA1GCACNA1BCACNA1CMEN1
SCHEMBL31009150 0.94 POLQ (0.41) POLQMEN1KMT2ATACR1
SCHEMBL31009196 0.86 POLQ (0.35) POLQTACR1
SCHEMBL29315670 0.86 POLQ (0.35) POLQTACR1
SCHEMBL29313609 0.82 POLQ (0.40) POLQLIPECMA1
SCHEMBL29313612 0.80 POLQ (0.38) POLQLIPECMA1
SCHEMBL29313708 0.80 POLQ (0.38) POLQTACR1LIPE
SCHEMBL31009168 0.80 POLQ (0.34) POLQ
SCHEMBL29313703 0.80 TACR1 (0.39) POLQTACR1
SCHEMBL29313751 0.80 POLQ (0.39) POLQTACR1CMA1

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