SCHEMBL29313752

SCHEMBL29313752

CNC(=O)CCn1ccn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2OC(=O)N(C)c2ccc(F)cc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.38
TACR1 P25103 1/20 0.34
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CMA1 P23946 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HDAC4 P56524 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
SCHEMBL29313751 0.90 POLQ (0.39) POLQTACR1MAPTRXFP1CMA1
SCHEMBL29313795 0.85 POLQ (0.38) POLQ
SCHEMBL29313753 0.84 POLQ (0.37) POLQ
SCHEMBL29313794 0.84 POLQ (0.37) POLQMAPTSMN1; SMN2
SCHEMBL29313799 0.84 POLQ (0.37) POLQ
SCHEMBL29313701 0.83 POLQ (0.37) POLQMAPTRXFP1CMA1
SCHEMBL29313754 0.83 POLQ (0.37) POLQTACR1
SCHEMBL29313749 0.83 POLQ (0.38) POLQTACR1
SCHEMBL29313704 0.83 POLQ (0.39) POLQMAPTRXFP1CMA1
SCHEMBL29313744 0.82 POLQ (0.38) POLQTACR1MAPTRXFP1

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