SCHEMBL25858103

SCHEMBL25858103

Cc1nnc(Cl)c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.50
HSP90AA1 P07900 4/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 5/20 0.42
KDM4E B2RXH2 5/20 0.42
CCR1 P32246 3/20 0.42
CCR8 P51685 3/20 0.42
LMNA P02545 3/20 0.42
SLC6A2 P23975 3/20 0.42
HTT P42858 3/20 0.42
METAP2 P50579 2/20 0.42
METAP1 P53582 2/20 0.42
BRD4 O60885 1/20 0.42
PSMD14 O00487 1/20 0.42
COPS5 Q92905 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MMP14 P50281 3/20 0.41
CYP3A4 P08684 3/20 0.41
ALOX12 P18054 3/20 0.41
TDP1 Q9NUW8 3/20 0.41

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
SCHEMBL30454561 0.85 HSP90AA1 (0.50) L3MBTL1HSP90AA1NPC1MAPTKDM4E
SCHEMBL16276769 0.84 L3MBTL1 (0.58) L3MBTL1HSP90AA1NPC1MAPTKDM4E
SCHEMBL580638 0.84 HSP90AA1 (0.47) L3MBTL1HSP90AA1NPC1MAPTKDM4E
SCHEMBL8549613 0.76 COMT (0.47) L3MBTL1HSP90AA1NPC1MAPTKDM4E
SCHEMBL31329901 0.73 HSP90AA1 (0.46) L3MBTL1HSP90AA1NPC1MAPTKDM4E
SCHEMBL3651608 0.73 MAPT (0.42) L3MBTL1HSP90AA1NPC1MAPTKDM4E
SCHEMBL30645164 0.73 MEN1 (0.50) L3MBTL1NPC1MAPTKDM4ELMNA
SCHEMBL2306302 0.73 MEN1 (0.50) L3MBTL1NPC1MAPTKDM4ELMNA
SCHEMBL2884022 0.70 ALDH1A1 (0.50) HSP90AA1MAPTKDM4ELMNAHTT
SCHEMBL25294849 0.69 KDM4E (0.50) L3MBTL1HSP90AA1NPC1MAPTKDM4E

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-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed