SCHEMBL29314114

SCHEMBL29314114

CCN(C(=O)Cc1c(-n2cc[nH]c2=S)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)c(Cl)c1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.32
GAA P10253 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RORC P51449 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
SCHEMBL29314117 0.88 POLQ (0.31) POLQ
SCHEMBL29314123 0.82 ALDH1A1 (0.34) POLQGAAALDH1A1MEN1KMT2A
SCHEMBL29314118 0.78 POLQ (0.33) POLQGAAMCOLN3
SCHEMBL29313855 0.78 POLQ (0.37) POLQPOLBAPOBEC3GTDP1
SCHEMBL29314308 0.76 GAA (0.32) POLQGAAALDH1A1TDP1
SCHEMBL29314122 0.75 CRHR1 (0.34) POLQGAAMCOLN3ALDH1A1POLB
SCHEMBL29314125 0.73 SMN1; SMN2 (0.40) POLQGAAALDH1A1POLBTDP1
SCHEMBL29314119 0.73 CRHR1 (0.36) POLQGAAMEN1KMT2A
SCHEMBL29314130 0.72 RORC (0.34) POLQGAAMCOLN3ALDH1A1POLB
SCHEMBL29314124 0.68 SMN1; SMN2 (0.40) POLQGAAALDH1A1POLBTDP1

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