SCHEMBL28934465

SCHEMBL28934465

COc1cc(C)ccc1-c1nnc(Cl)c2c(F)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TLR9 Q9NR96 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
ALOX12 P18054 2/20 0.35
NTSR1 P30989 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
HPGD P15428 3/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
KRAS P01116 1/20 0.34
ACHE P22303 1/20 0.34
CRHR1 P34998 2/20 0.34

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
SCHEMBL28934408 0.90 USP2 (0.34) MAPTKDM4ETLR9MEN1KMT2A
SCHEMBL28934542 0.88 MAPT (0.39) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL28934596 0.85 L3MBTL1 (0.37) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL28934464 0.82 MAPT (0.40) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL28934452 0.80 MAPT (0.39) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL28934436 0.78 ACHE (0.41) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL28934710 0.78 ACHE (0.41) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL28934449 0.78 KDM4E (0.40) MAPTKDM4ETLR9MEN1KMT2A
SCHEMBL30108834 0.77 G6PD (0.44) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL28934496 0.74 PDE5A (0.46) MAPTMEN1KMT2AALDH1A1NPSR1

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
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN disclosed