SCHEMBL20195467

SCHEMBL20195467

Cc1cc(-c2ccccc2)cnc1OCc1c(C)cccc1N(N)C(=O)NN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
GABRA5 P31644 4/20 0.40
MAPT P10636 2/20 0.34
CASP1 P29466 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
CTSA P10619 3/20 0.34
GAK O14976 1/20 0.34
ROCK2 O75116 1/20 0.34
CHRNA1 P02708 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNA7 P36544 1/20 0.34
NR2C2 P49116 1/20 0.34
TAB1 Q15750 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
HIPK4 Q8NE63 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
BMP2K Q9NSY1 1/20 0.34
GRIN2B Q13224 1/20 0.33

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
SCHEMBL22037214 0.85 PTGER4 (0.44) FFAR1KDM4EALDH1A1DHODH
SCHEMBL20195433 0.85 FFAR1 (0.40) FFAR1GABRA5
SCHEMBL22038156 0.81 NPC1 (0.39) FFAR1GABRA5MAPTKDM4E
SCHEMBL22037652 0.81 TDP1 (0.37) FFAR1
SCHEMBL22038654 0.80 SMPD1 (0.43) MAPTKDM4EALDH1A1SGMS2MKNK2
SCHEMBL22038663 0.80 FFAR4 (0.42) FFAR1MAPTALDH1A1
SCHEMBL22038173 0.79 MRGPRX4 (0.39) FFAR1
SCHEMBL22038158 0.78 MEN1 (0.36) FFAR1GABRA5MAPTKDM4EALDH1A1
SCHEMBL22038670 0.78 PTGER4 (0.40) FFAR1KDM4EALDH1A1
SCHEMBL22037630 0.78 MRGPRX4 (0.46) FFAR1

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
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed