SCHEMBL27359331

SCHEMBL27359331

CCCCc1ccc(C)nc1NC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.38
TLR8 Q9NR97 2/20 0.36
GRM5 P41594 1/20 0.36
CTRC Q99895 1/20 0.35
PDE10A Q9Y233 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL6879703 0.82 KCNH2 (0.37) GRM5ADORA2AADORA1MEN1CYP3A4
SCHEMBL25636505 0.79 CCR1 (0.32) GRM5CYP3A4MAPTHTTRAB9A
SCHEMBL1260062 0.79 TYR (0.41) TYRTLR8CTRCPDE10AMEN1
SCHEMBL23341589 0.76 KCNH2 (0.43) TYRTLR8GRM5CTRCESR1
SCHEMBL19304422 0.76 TYR (0.43) TYRTLR8CTRCPDE10AMEN1
SCHEMBL18455183 0.75 MEN1 (0.32) MEN1CYP3A4KMT2A
SCHEMBL8326377 0.74 KDM4E (0.42) MEN1MAPTHTTKMT2ATDP1
SCHEMBL27360658 0.73 TYR (0.37) TYRTLR8CTRCPDE10AMEN1
SCHEMBL27813430 0.72 TYR (0.47) TYRTLR8ADORA2AESR1MEN1
SCHEMBL13073819 0.70 GRM5 (0.45) TLR8GRM5TLR7CYP3A4TDP1

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-2023247666-A1 FLUORESCENT PROBES FOR MAGL F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 WO disclosed