SCHEMBL29314119

SCHEMBL29314119

CCN(C(=O)Cc1c(-n2cc[nH]c2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.36
POLQ O75417 8/20 0.32
CMA1 P23946 1/20 0.32
RXRA P19793 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL29314123 0.91 ALDH1A1 (0.34) CRHR1POLQGAANPSR1MEN1
SCHEMBL29314122 0.91 CRHR1 (0.34) CRHR1POLQCMA1GAANPSR1
SCHEMBL29314118 0.81 POLQ (0.33) POLQGAA
SCHEMBL29314114 0.73 POLQ (0.32) POLQGAAMEN1KMT2A
SCHEMBL29314165 0.72 GAA (0.33) POLQGAANPSR1
SCHEMBL29314117 0.72 POLQ (0.31) POLQ
SCHEMBL29314072 0.70 PPARG (0.33) POLQ
SCHEMBL29313853 0.69 ALDH1A1 (0.31)
SCHEMBL29314305 0.67 POLQ (0.30) POLQ
SCHEMBL29314469 0.66 CRHR1 (0.38) CRHR1CMA1NPSR1MEN1KMT2A

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