SCHEMBL29313390

SCHEMBL29313390

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLQ O75417 5/20 0.40
LMNA P02545 1/20 0.32
LIPE Q05469 3/20 0.30
TSHR P16473 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
SCHEMBL29313334 0.92 POLQ (0.39) POLQLIPE
SCHEMBL29313262 0.92 POLQ (0.41) POLQLMNALIPETSHR
SCHEMBL29313332 0.91 POLQ (0.37) POLQ
SCHEMBL29313251 0.90 POLQ (0.36) POLQ
SCHEMBL29313340 0.90 POLQ (0.39) POLQ
SCHEMBL29313384 0.90 POLQ (0.38) POLQLIPE
SCHEMBL29313343 0.90 POLQ (0.38) POLQLMNALIPE
SCHEMBL29313435 0.89 POLQ (0.40) POLQLIPE
SCHEMBL29313436 0.89 POLQ (0.40) POLQLMNALIPE
SCHEMBL29313439 0.89 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