SCHEMBL29313948

SCHEMBL29313948

CN(C(=O)Oc1c(C(F)(F)F)cc(C(F)(F)F)nc1-c1nccs1)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
S1PR1 P21453 1/20 0.33
ECE1 P42892 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
SCHEMBL29313930 0.84 GAA (0.32) S1PR1ECE1GPBAR1MEN1KMT2A
SCHEMBL29313931 0.83 MEN1 (0.31) ECE1MEN1KMT2AADORA1
SCHEMBL29313926 0.82 POLQ (0.34) POLQECE1GPBAR1
SCHEMBL29313937 0.82 POLQ (0.42) POLQL3MBTL1LMNATUBB4ATUBB
SCHEMBL29313928 0.82 POLQ (0.33) POLQ
SCHEMBL29313934 0.81 POLQ (0.34) POLQL3MBTL1LMNATUBB4ATUBB
SCHEMBL29314384 0.69 POLQ (0.52) POLQLMNALIPEALDH1A1
SCHEMBL30847596 0.68 POLQ (0.50) POLQLMNALIPEGPBAR1MEN1
SCHEMBL29314388 0.68 POLQ (0.50) POLQLMNALIPEMEN1KMT2A
SCHEMBL30847644 0.67 POLQ (0.41) POLQL3MBTL1LMNALIPEGPBAR1

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