SCHEMBL29314064

SCHEMBL29314064

CN(C(=O)Oc1c(-c2cnco2)cc(C(F)(F)F)cc1C(F)(F)F)c1cc(Cl)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.38
IMPDH2 P12268 3/20 0.35
IMPDH1 P20839 3/20 0.35
GPBAR1 Q8TDU6 12/20 0.34
LIPE Q05469 2/20 0.33
GPR119 Q8TDV5 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
SCHEMBL29314063 0.86 POLQ (0.39) POLQIMPDH2IMPDH1GPBAR1LIPE
SCHEMBL29314055 0.82 IMPDH2 (0.35) IMPDH2IMPDH1GPBAR1LIPEGPR119
SCHEMBL29314044 0.81 POLQ (0.42) POLQIMPDH2IMPDH1GPBAR1LIPE
SCHEMBL29314053 0.80 IMPDH2 (0.36) IMPDH2IMPDH1GPBAR1GPR119
SCHEMBL30847594 0.79 POLQ (0.39) POLQGPBAR1LIPE
SCHEMBL30847810 0.79 POLQ (0.39) POLQGPBAR1LIPE
SCHEMBL30847821 0.71 POLQ (0.39) POLQ
SCHEMBL29314047 0.68 LIPE (0.36) POLQIMPDH2IMPDH1GPBAR1LIPE
SCHEMBL29314067 0.66 POLQ (0.43) POLQLIPE
SCHEMBL26915350 0.61 KDM1A (0.41) IMPDH2IMPDH1

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