SCHEMBL29313482

SCHEMBL29313482

CN(C(=O)Oc1c(/C(C=N)=C/NC2(CO)CC2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.39
LIPE Q05469 4/20 0.31
PSMB11 A5LHX3 1/20 0.31
PSMA7 O14818 1/20 0.31
PSMB1 P20618 1/20 0.31
PSMA1 P25786 1/20 0.31
PSMA2 P25787 1/20 0.31
PSMA3 P25788 1/20 0.31
PSMA4 P25789 1/20 0.31
PSMB8 P28062 1/20 0.31
PSMB9 P28065 1/20 0.31
PSMA5 P28066 1/20 0.31
PSMB4 P28070 1/20 0.31
PSMB6 P28072 1/20 0.31
PSMB5 P28074 1/20 0.31
PSMB10 P40306 1/20 0.31
PSMB3 P49720 1/20 0.31
PSMB2 P49721 1/20 0.31
PSMA6 P60900 1/20 0.31
PSMA8 Q8TAA3 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
SCHEMBL29313441 0.86 POLQ (0.41) POLQLIPE
SCHEMBL29313330 0.84 POLQ (0.39) POLQLIPE
SCHEMBL29313298 0.84 POLQ (0.43) POLQLIPE
SCHEMBL29313262 0.84 POLQ (0.41) POLQLIPE
SCHEMBL29313436 0.83 POLQ (0.40) POLQLIPE
SCHEMBL29313435 0.83 POLQ (0.40) POLQLIPE
SCHEMBL29313263 0.83 POLQ (0.40) POLQLIPE
SCHEMBL29313572 0.83 POLQ (0.39) POLQLIPE
SCHEMBL29313294 0.83 POLQ (0.39) POLQLIPE
SCHEMBL29313507 0.82 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