SCHEMBL29314474

SCHEMBL29314474

CN(C(=O)Oc1c(-n2cc[nH]c2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLQ O75417 6/20 0.44
SCN8A Q9UQD0 4/20 0.34
SCN10A Q9Y5Y9 4/20 0.34
CRHR1 P34998 1/20 0.33
LIPE Q05469 5/20 0.32
CMA1 P23946 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 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
SCHEMBL31009145 1.00 POLQ (0.44) POLQSCN8ASCN10ACRHR1LIPE
SCHEMBL31009165 0.94 POLQ (0.46) POLQSCN8ASCN10ACRHR1CMA1
SCHEMBL29313852 0.90 POLQ (0.41) POLQSCN8ASCN10ALIPEKMT2A
SCHEMBL29315725 0.84 POLQ (0.38) POLQSCN8ASCN10AFFAR4
SCHEMBL31009155 0.84 POLQ (0.38) POLQSCN8ASCN10AFFAR4
SCHEMBL29313609 0.81 POLQ (0.40) POLQLIPECMA1FFAR4
SCHEMBL30847728 0.80 POLQ (0.42) POLQLIPECMA1
SCHEMBL29314473 0.79 POLQ (0.39) POLQLIPECMA1KMT2AMEN1
SCHEMBL30847572 0.79 POLQ (0.39) POLQLIPECMA1KMT2AMEN1
SCHEMBL31009194 0.79 POLQ (0.44) POLQ

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
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
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