SCHEMBL8873259

SCHEMBL8873259

CCNc1nc(N)nc(Cl)c1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.34
TLR8 Q9NR97 3/20 0.34
NLRP3 Q96P20 2/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GSK3B P49841 1/20 0.31
MAP4K2 Q12851 1/20 0.31
PTPN1 P18031 1/20 0.31
GLP1R P43220 1/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8874150 0.83 LRRK2 (0.34) PTPN1
SCHEMBL8873231 0.81 LRRK2 (0.34) PGK1ALDH1A1GAAMAPTRAB9A
SCHEMBL7934006 0.78 DPP4 (0.31)
SCHEMBL8874251 0.74 KDM4E (0.39) KDM4EHPGDSMN1; SMN2
SCHEMBL13539690 0.73 TLR8 (0.41) PGK1TLR8NLRP3TLR7PDE10A
SCHEMBL8874173 0.73 KDM4E (0.37) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL7932055 0.71 CCNA2 (0.39)
SCHEMBL8874425 0.70 NUDT1 (0.33) ALDH1A1MAPTLMNAKDM4E
SCHEMBL8874055 0.70 RAB9A (0.31) MAPTRAB9A
SCHEMBL7932063 0.68 KDM4E (0.31) KDM4E

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
US-5591694-A COMPOUND USED TO CONTROL UNDESIRABLE PLANT GROWTH BASF AKTIENGESELLSCHAFT (DE) 1997-01-07 US disclosed
US-5276007-A Herbicidal sulfonylureas BASF AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed