SCHEMBL29313334

SCHEMBL29313334

COCCN/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 10)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.39
LIPE Q05469 5/20 0.33
TACR1 P25103 1/20 0.32
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TRPA1 O75762 1/20 0.30
SLC6A3 Q01959 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL29313390 0.92 POLQ (0.40) POLQLIPE
SCHEMBL29313262 0.92 POLQ (0.41) POLQLIPETACR1TRPA1SLC6A3
SCHEMBL29313384 0.91 POLQ (0.38) POLQLIPE
SCHEMBL29313343 0.91 POLQ (0.38) POLQLIPEKMT2A
SCHEMBL29313435 0.91 POLQ (0.40) POLQLIPESLC6A3
SCHEMBL29313436 0.91 POLQ (0.40) POLQLIPETACR1SLC6A3
SCHEMBL29313344 0.90 POLQ (0.37) POLQLIPESLC6A3
SCHEMBL29313439 0.90 POLQ (0.39) POLQLIPESLC6A3
SCHEMBL29313340 0.90 POLQ (0.39) POLQTACR1
SCHEMBL29313332 0.90 POLQ (0.37) POLQ

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