SCHEMBL29313262

SCHEMBL29313262

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLQ O75417 5/20 0.41
TRPA1 O75762 1/20 0.35
LIPE Q05469 5/20 0.32
LMNA P02545 1/20 0.31
SLC6A3 Q01959 1/20 0.31
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
NR1H3 Q13133 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
TACR1 P25103 1/20 0.30
CCR2 P41597 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
SCHEMBL29313436 0.92 POLQ (0.40) POLQLIPELMNASLC6A3GAA
SCHEMBL29313435 0.92 POLQ (0.40) POLQLIPESLC6A3
SCHEMBL29313390 0.92 POLQ (0.40) POLQLIPELMNATSHR
SCHEMBL29313334 0.92 POLQ (0.39) POLQTRPA1LIPESLC6A3TACR1
SCHEMBL29313439 0.92 POLQ (0.39) POLQLIPESLC6A3
SCHEMBL29313298 0.90 POLQ (0.43) POLQLIPELMNAGAAMAPK1
SCHEMBL29313343 0.89 POLQ (0.38) POLQLIPELMNAGAAMAPK1
SCHEMBL29313384 0.89 POLQ (0.38) POLQLIPE
SCHEMBL29313263 0.89 POLQ (0.40) POLQLIPE
SCHEMBL29313294 0.88 POLQ (0.39) POLQLIPETACR1

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