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SCHEMBL29314167

SCHEMBL29314167

CCN(C(=O)Oc1c(/C(C=N)=C/N)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 11/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL29314172 0.84 POLQ (0.36) POLQNPSR1GAATSHRHTT
SCHEMBL29314170 0.83 GAA (0.31) POLQNPSR1GAA
SCHEMBL29314169 0.83 GAA (0.35) POLQNPSR1GAAKDM4EALDH1A1
SCHEMBL29313507 0.79 POLQ (0.39) POLQ
SCHEMBL29313262 0.77 POLQ (0.41) POLQGAATSHR
SCHEMBL29313441 0.77 POLQ (0.41) POLQ
SCHEMBL29313327 0.76 POLQ (0.37) POLQGAA
SCHEMBL29313298 0.75 POLQ (0.43) POLQGAATSHR
SCHEMBL29313436 0.74 POLQ (0.40) POLQGAAKDM4EALDH1A1
SCHEMBL29313263 0.74 POLQ (0.40) 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