SCHEMBL29314384

SCHEMBL29314384

Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1OC(=O)N(C)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLQ O75417 6/20 0.52
LIPE Q05469 7/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL29314388 0.90 POLQ (0.50) POLQLIPELMNAALDH1A1GAA
SCHEMBL30847596 0.88 POLQ (0.50) POLQLIPELMNAGAARAB9A
SCHEMBL30847641 0.86 POLQ (0.43) POLQLIPELMNAALDH1A1KDM4E
SCHEMBL29314831 0.85 POLQ (0.42) POLQLMNAALDH1A1KDM4ENPC1
SCHEMBL29314375 0.85 POLQ (0.47) POLQLIPELMNARAB9AHTT
SCHEMBL29315012 0.84 POLQ (0.41) POLQLMNAALDH1A1KDM4ENPC1
SCHEMBL31009186 0.81 POLQ (0.44) POLQLIPE
SCHEMBL29314065 0.81 POLQ (0.44) POLQLIPELMNAHTTNPSR1
SCHEMBL29314374 0.81 POLQ (0.44) POLQLIPE
SCHEMBL29314066 0.81 POLQ (0.43) POLQLIPEALDH1A1KDM4ENPSR1

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