SCHEMBL29314067

SCHEMBL29314067

CN(C(=O)Oc1c(-c2ccco2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 5/20 0.43
CFTR P13569 5/20 0.42
THRB P10828 1/20 0.36
LIPE Q05469 7/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL29314044 0.84 POLQ (0.42) POLQLIPE
SCHEMBL29314384 0.81 POLQ (0.52) POLQLIPETLR7
SCHEMBL29314066 0.80 POLQ (0.43) POLQLIPETLR7
SCHEMBL29314388 0.79 POLQ (0.50) POLQLIPETLR7
SCHEMBL30847596 0.79 POLQ (0.50) POLQLIPETLR7
SCHEMBL29313937 0.77 POLQ (0.42) POLQLIPETUBB4ATUBBTUBA3C
SCHEMBL29314375 0.76 POLQ (0.47) POLQLIPETLR7
SCHEMBL31009186 0.75 POLQ (0.44) POLQLIPE
SCHEMBL29314374 0.75 POLQ (0.44) POLQLIPE
SCHEMBL29314065 0.73 POLQ (0.44) POLQLIPETLR7

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