SCHEMBL236493

SCHEMBL236493

NC(=O)N(N)c1ccccc1C(F)(F)F.O=C(O)N(c1ccccc1)c1ccccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.38
NPSR1 Q6W5P4 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PPARG P37231 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
KCNN4 O15554 2/20 0.34
MAOB P27338 1/20 0.33
GAA P10253 2/20 0.33
POLB P06746 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
LMNA P02545 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32

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
SCHEMBL195968 0.88 POLQ (0.45) POLQNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL194877 0.87 LMNA (0.41) POLQPPARGALDH1A1TDP1L3MBTL1
SCHEMBL5331837 0.78 LMNA (0.42) POLQALDH1A1TDP1L3MBTL1KCNN4
SCHEMBL2096212 0.77 POLQ (0.44) POLQNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL2583273 0.76 POLQ (0.47) POLQNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL29278841 0.76 ALDH1A1 (0.40) POLQNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL236492 0.76 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1GAAPOLB
SCHEMBL3793278 0.75 POLQ (0.40) POLQNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL6037560 0.74 ALDH1A1 (0.39) POLQNPSR1ALDH1A1TDP1ATM
SCHEMBL28361227 0.74 SLC6A2 (0.53) POLQSLC6A2SLC6A4SLC6A3GAA

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
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed