SCHEMBL29315725

SCHEMBL29315725

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLQ O75417 13/20 0.38
SCN8A Q9UQD0 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
TACR1 P25103 1/20 0.30
SLC6A4 P31645 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
SCHEMBL31009155 1.00 POLQ (0.38) POLQSCN8ASCN10AFFAR4TACR1
SCHEMBL31009145 0.84 POLQ (0.44) POLQSCN8ASCN10AFFAR4
SCHEMBL29314474 0.84 POLQ (0.44) POLQSCN8ASCN10AFFAR4
SCHEMBL31009165 0.82 POLQ (0.46) POLQSCN8ASCN10AFFAR4
SCHEMBL31009196 0.81 POLQ (0.35) POLQTACR1
SCHEMBL29315670 0.81 POLQ (0.35) POLQTACR1
SCHEMBL29313852 0.74 POLQ (0.41) POLQSCN8ASCN10ATACR1
SCHEMBL29314303 0.72 POLQ (0.33) POLQSCN8ASCN10AFFAR4TACR1
SCHEMBL29313609 0.71 POLQ (0.40) POLQFFAR4
SCHEMBL29313706 0.69 POLQ (0.35) POLQTACR1

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 2 patents. 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
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