SCHEMBL29314066

SCHEMBL29314066

CN(C(=O)Oc1c(-c2cccs2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLQ O75417 5/20 0.43
TNFRSF1A P19438 1/20 0.36
PPARG P37231 1/20 0.35
LIPE Q05469 6/20 0.34
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 1/20 0.34
S1PR2 O95136 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGER2 P43116 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
FOXM1 Q08050 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL29313937 0.82 POLQ (0.42) POLQLIPEL3MBTL1
SCHEMBL29314384 0.81 POLQ (0.52) POLQLIPEKDM4EALDH1A1NPSR1
SCHEMBL29314067 0.80 POLQ (0.43) POLQLIPETLR7
SCHEMBL29314388 0.79 POLQ (0.50) POLQLIPEALDH1A1NPSR1TLR7
SCHEMBL30847596 0.79 POLQ (0.50) POLQLIPENPSR1TLR7
SCHEMBL29314044 0.77 POLQ (0.42) POLQLIPE
SCHEMBL29314375 0.76 POLQ (0.47) POLQLIPENPSR1TLR7
SCHEMBL31009186 0.73 POLQ (0.44) POLQLIPE
SCHEMBL29314374 0.73 POLQ (0.44) POLQLIPE
SCHEMBL29314065 0.73 POLQ (0.44) POLQLIPENPSR1TLR7

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