SCHEMBL31133136

SCHEMBL31133136

O=C(O)c1cnc(OCC(F)(F)F)cn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ASPH Q12797 1/20 0.44
SIRT6 Q8N6T7 1/20 0.42
EPHX2 P34913 2/20 0.40
MAPT P10636 2/20 0.40
BACE1 P56817 5/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2J2 P51589 1/20 0.39
DGAT1 O75907 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL1992405 1.00 L3MBTL1 (0.59) L3MBTL1POLBMAPK1ASPHSIRT6
SCHEMBL16466573 0.88 SIRT6 (0.57) L3MBTL1POLBMAPK1SIRT6MAPT
SCHEMBL16293478 0.87 L3MBTL1 (0.45) L3MBTL1MAPK1ASPHSIRT6MAPT
SCHEMBL16935146 0.85 L3MBTL1 (0.50) L3MBTL1POLBMAPK1SIRT6MAPT
SCHEMBL16293371 0.84 L3MBTL1 (0.43) L3MBTL1POLBMAPK1ASPHSIRT6
SCHEMBL841915 0.83 EPHX2 (0.46) L3MBTL1ASPHSIRT6EPHX2BACE1
SCHEMBL31132803 0.82 L3MBTL1 (0.48) L3MBTL1MAPK1SIRT6MAPTBACE1
SCHEMBL2108636 0.82 L3MBTL1 (0.48) L3MBTL1MAPK1SIRT6MAPTBACE1
SCHEMBL24214121 0.82 L3MBTL1 (0.41) L3MBTL1ASPHSIRT6EPHX2BACE1
SCHEMBL14903884 0.81 L3MBTL1 (0.47) L3MBTL1BACE1BACE2

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
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed