SCHEMBL29313436

SCHEMBL29313436

CN(C)CCN/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 12)

geneUniProtsupporting neighboursconfidence
POLQ O75417 4/20 0.40
CCR2 P41597 4/20 0.36
TACR1 P25103 1/20 0.36
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A3 Q01959 1/20 0.32
LIPE Q05469 5/20 0.32
MAPK1 P28482 1/20 0.32
NR1H3 Q13133 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31

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) POLQCCR2TACR1GAASLC6A3
SCHEMBL29313435 0.92 POLQ (0.40) POLQSLC6A3LIPE
SCHEMBL29313334 0.91 POLQ (0.39) POLQTACR1SLC6A3LIPE
SCHEMBL29313439 0.91 POLQ (0.39) POLQSLC6A3LIPE
SCHEMBL29313344 0.90 POLQ (0.37) POLQSLC6A3LIPE
SCHEMBL29313390 0.89 POLQ (0.40) POLQLIPELMNA
SCHEMBL29313260 0.89 POLQ (0.36) POLQTACR1
SCHEMBL29313298 0.89 POLQ (0.43) POLQTACR1GAALIPEMAPK1
SCHEMBL29313343 0.89 POLQ (0.38) POLQGAALIPEMAPK1NR1H3
SCHEMBL29313263 0.88 POLQ (0.40) 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