SCHEMBL30445356

SCHEMBL30445356

CNC(=O)c1cnc(C(C)C)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.45
HDAC6 Q9UBN7 6/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC8 Q9BY41 1/20 0.41
GRM5 P41594 1/20 0.41
HPGDS O60760 2/20 0.40
PSMD14 O00487 1/20 0.40
STAMBP O95630 1/20 0.40
COPS5 Q92905 1/20 0.40
HDAC1 Q13547 5/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLK1 P53350 5/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
HDAC3 O15379 4/20 0.37
SCN9A Q15858 1/20 0.37
SCN2A Q99250 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
SCHEMBL22387737 0.84 HDAC6 (0.57) HDAC6HDAC2HDAC1HDAC3
SCHEMBL24925816 0.82 KDM4E (0.42) HDAC6HDAC2HDAC1HTTHDAC3
SCHEMBL198067 0.81 ALDH1A1 (0.52) HPGD
SCHEMBL26153238 0.79 PRKAB2 (0.43) HDAC6HDAC2HPGDSHDAC1HTT
SCHEMBL8528960 0.79 HCAR3 (0.36) HPGDHTTSMN1; SMN2
SCHEMBL13119220 0.77 KCNJ1 (0.36) BAZ2BHPGDSMN1; SMN2
SCHEMBL19300252 0.77 BAZ2B (0.49) BAZ2BHDAC6HDAC2HDAC8GRM5
SCHEMBL1435071 0.76 MAPK1 (0.52) PSMD14TSHR
SCHEMBL12017909 0.76 BAZ2B (0.53) BAZ2BHDAC6HDAC2HDAC8GRM5
SCHEMBL24065698 0.75 HCAR3 (0.34) HDAC6HDAC2HDAC8HDAC1HDAC3

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-4405344-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS Xenon Pharmaceuticals Inc. (CA) 2024-07-31 EP disclosed
WO-2023049369-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-03-30 WO disclosed