SCHEMBL29316532

SCHEMBL29316532

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.32
CES2 O00748 1/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 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
SCHEMBL29314831 0.89 POLQ (0.42) POLQCES2TSHRLMNA
SCHEMBL29315012 0.79 POLQ (0.41) POLQLMNA
SCHEMBL29314384 0.75 POLQ (0.52) POLQTSHRLMNA
SCHEMBL29315955 0.69 POLQ (0.36) POLQ
SCHEMBL29315103 0.68 POLQ (0.37) POLQ
SCHEMBL29314388 0.66 POLQ (0.50) POLQTSHRLMNA
SCHEMBL19105242 0.64 NOTUM (0.36) CES2LMNA
SCHEMBL30847733 0.64 TACR1 (0.44) POLQ
SCHEMBL19105211 0.64 AKT1 (0.34) CES2
SCHEMBL30847596 0.64 POLQ (0.50) POLQTSHRLMNA

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