SCHEMBL20195430

SCHEMBL20195430

Cc1cc(-c2ccccc2)c(C)nc1OCc1c(C)cccc1N(C)N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ESR2 Q92731 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
GAA P10253 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL20195485 0.82 CYP3A4 (0.35) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL22038661 0.78 FFAR1 (0.41) FFAR1SLC22A12CD274
SCHEMBL20195461 0.77 CYP1A2 (0.33) SLC22A12CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL20195427 0.77 CNR1 (0.33) L3MBTL1FFAR1KMT2ANPSR1
SCHEMBL22037215 0.75 HTR7 (0.45) FFAR1MEN1KMT2ASLC22A12KDM4E
SCHEMBL22038664 0.74 GABRA5 (0.39) FFAR1SLC22A12KDM4EGAA
SCHEMBL22037248 0.74 CD274 (0.42) FFAR1CD274
SCHEMBL22037235 0.74 AURKA (0.38) L3MBTL1MEN1KMT2AKDM4ECYP1A2
SCHEMBL20195388 0.73 HTR7 (0.35) FFAR1HPGDESR2
SCHEMBL20686651 0.72 NISCH (0.42) L3MBTL1SLC22A12KDM4ECYP1A2CYP2C9

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