SCHEMBL29313439

SCHEMBL29313439

CSCCN/C=C(\C=N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1OC(=O)N(C)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.39
LIPE Q05469 6/20 0.33
SLC6A3 Q01959 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
SCHEMBL29313262 0.92 POLQ (0.41) POLQLIPESLC6A3
SCHEMBL29313435 0.91 POLQ (0.40) POLQLIPESLC6A3
SCHEMBL29313436 0.91 POLQ (0.40) POLQLIPESLC6A3
SCHEMBL29313334 0.90 POLQ (0.39) POLQLIPESLC6A3
SCHEMBL29313390 0.89 POLQ (0.40) POLQLIPE
SCHEMBL29313298 0.88 POLQ (0.43) POLQLIPE
SCHEMBL29313384 0.88 POLQ (0.38) POLQLIPE
SCHEMBL29313343 0.88 POLQ (0.38) POLQLIPE
SCHEMBL29313263 0.87 POLQ (0.40) POLQLIPE
SCHEMBL29313330 0.87 POLQ (0.39) POLQLIPE

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