SCHEMBL29313330

SCHEMBL29313330

CN(C(=O)Oc1c(/C(C=N)=C/NCC#CCO)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLQ O75417 5/20 0.39
LIPE Q05469 5/20 0.32
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NR1H3 Q13133 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL29313263 0.91 POLQ (0.40) POLQLIPE
SCHEMBL29313327 0.90 POLQ (0.37) POLQGAAMAPK1NR1H3SMN1; SMN2
SCHEMBL29313293 0.90 POLQ (0.37) POLQ
SCHEMBL29313328 0.89 POLQ (0.36) POLQGAAMAPK1NR1H3SMN1; SMN2
SCHEMBL29313262 0.88 POLQ (0.41) POLQLIPEGAAMAPK1NR1H3
SCHEMBL29313298 0.88 POLQ (0.43) POLQLIPEGAAMAPK1NR1H3
SCHEMBL29313436 0.87 POLQ (0.40) POLQLIPEGAAMAPK1NR1H3
SCHEMBL29313435 0.87 POLQ (0.40) POLQLIPE
SCHEMBL29313439 0.87 POLQ (0.39) POLQLIPE
SCHEMBL29313441 0.86 POLQ (0.41) 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