SCHEMBL25751247

SCHEMBL25751247

COC(=O)c1nc(NCc2ccc(OC)cc2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 1/20 0.48
CLK4 Q9HAZ1 2/20 0.48
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.45
HDAC1 Q13547 1/20 0.45
CLK1 P49759 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL2564636 0.82 CLK4 (0.48) VNN1NPC1RAB9AKMT2ACLK4
SCHEMBL30078233 0.82 CLK4 (0.48) VNN1NPC1RAB9AKMT2ACLK4
SCHEMBL25751248 0.80 CLK4 (0.51) VNN1NPC1RAB9AKMT2ACLK4
SCHEMBL4763747 0.78 CLK4 (0.49) VNN1NPC1RAB9AKMT2ACLK4
SCHEMBL16864627 0.77 KDM4E (0.53) VNN1NPC1RAB9AKMT2ACLK4
SCHEMBL31434936 0.76 VNN1 (0.46) VNN1NPC1RAB9AKMT2AMAPT
SCHEMBL21384221 0.75 NPC1 (0.60) VNN1NPC1RAB9AKMT2ACLK4
SCHEMBL2600008 0.74 CLK4 (0.50) NPC1RAB9AKMT2ACLK4MAPT
SCHEMBL14920974 0.74 VNN1 (0.64) VNN1NPC1RAB9AKMT2ACLK4
SCHEMBL25382508 0.73 CLK4 (0.44) VNN1NPC1RAB9AKMT2ACLK4

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-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed