SCHEMBL29315955

SCHEMBL29315955

BC(B)(O)N(C(=O)Oc1c(C)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)c(Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.36
GPR35 Q9HC97 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
GPBAR1 Q8TDU6 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
SCHEMBL29315103 0.93 POLQ (0.37) POLQGPR35CYP11B1CYP11B2GPBAR1
SCHEMBL29315146 0.80 POLQ (0.32) POLQ
SCHEMBL29316015 0.79
SCHEMBL29315472 0.78 POLQ (0.30) POLQ
SCHEMBL30847686 0.78 POLQ (0.41) POLQCYP11B1CYP11B2GPBAR1
SCHEMBL29316401 0.77 POLQ (0.30) POLQ
SCHEMBL30847616 0.74 GPBAR1 (0.36) POLQCYP11B1CYP11B2GPBAR1
SCHEMBL29315012 0.73 POLQ (0.41) POLQ
SCHEMBL29314831 0.72 POLQ (0.42) POLQ
SCHEMBL29316884 0.72 POLQ (0.38) POLQCYP11B1CYP11B2GPBAR1

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