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SCHEMBL29313343

SCHEMBL29313343

CC(C)OCCN/C=C(\C=N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1OC(=O)N(C)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 4/20 0.38
▸ LIPE Q05469 5/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL29313334 0.91 POLQ (0.39) POLQLIPEKMT2A
SCHEMBL29313390 0.90 POLQ (0.40) POLQLIPELMNA
SCHEMBL29313262 0.89 POLQ (0.41) POLQLIPEGAAMAPK1NR1H3
SCHEMBL29313251 0.89 POLQ (0.36) POLQ
SCHEMBL29313384 0.89 POLQ (0.38) POLQLIPE
SCHEMBL29313435 0.89 POLQ (0.40) POLQLIPE
SCHEMBL29313436 0.89 POLQ (0.40) POLQLIPEGAAMAPK1NR1H3
SCHEMBL29313344 0.88 POLQ (0.37) POLQLIPE
SCHEMBL29313439 0.88 POLQ (0.39) POLQLIPE
SCHEMBL29313340 0.88 POLQ (0.39) 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 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