SCHEMBL30847686

SCHEMBL30847686

CN(C(=O)Oc1c(I)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)c(Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.41
GPBAR1 Q8TDU6 7/20 0.35
LIPE Q05469 4/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
P2RX1 P51575 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
TACR1 P25103 2/20 0.31
TACR2 P21452 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
SCHEMBL30847616 0.93 GPBAR1 (0.36) POLQGPBAR1LIPECYP11B1CYP11B2
SCHEMBL29316884 0.83 POLQ (0.38) POLQGPBAR1LIPECYP11B1CYP11B2
SCHEMBL30847810 0.83 POLQ (0.39) POLQGPBAR1LIPECYP11B1CYP11B2
SCHEMBL30847594 0.83 POLQ (0.39) POLQGPBAR1LIPECYP11B1CYP11B2
SCHEMBL29314063 0.80 POLQ (0.39) POLQGPBAR1LIPE
SCHEMBL29313945 0.80 POLQ (0.38) POLQGPBAR1LIPE
SCHEMBL30847639 0.79 POLQ (0.41) POLQGPBAR1
SCHEMBL29315103 0.78 POLQ (0.37) POLQGPBAR1CYP11B1CYP11B2
SCHEMBL29314388 0.78 POLQ (0.50) POLQLIPETLR7
SCHEMBL29315955 0.78 POLQ (0.36) POLQGPBAR1CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598901-A1 PYRROLIDINE AND IMIDAZOLIDINE BASED DNA POLYMERASE THETA INHIBITORS AND USE THEREOF Thomas Jefferson University (US) 2025-08-13 EP disclosed
WO-2024076964-A1 PYRROLIDINE AND IMIDAZOLIDINE BASED DNA POLYMERASE THETA INHIBITORS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-04-11 WO disclosed