SCHEMBL27360658

SCHEMBL27360658

CCCCc1ccc(C)nc1N(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.37
DNM2 P50570 1/20 0.36
TLR8 Q9NR97 2/20 0.35
CTRC Q99895 1/20 0.34
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOS2 P35228 1/20 0.32
KCNH2 Q12809 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL1260062 0.77 TYR (0.41) TYRTLR8CTRCMEN1TP53
SCHEMBL930276 0.76 CCR1 (0.33) MEN1MAPTKMT2ANOS2
SCHEMBL19304422 0.74 TYR (0.43) TYRTLR8CTRCMEN1TP53
SCHEMBL27359331 0.73 TYR (0.38) TYRTLR8CTRCMEN1TP53
SCHEMBL28207251 0.73 TYR (0.38) TYRDNM2TLR8CTRCMEN1
SCHEMBL27813430 0.70 TYR (0.47) TYRTLR8MEN1TP53CYP3A4
SCHEMBL15831900 0.70 LATS1 (0.36) DNM2MEN1MAPTKMT2A
SCHEMBL24609039 0.69 TLR8 (0.53) TYRTLR8
Bromide SCHEMBL28825154 0.68 TYR (0.45) TYRTLR8MEN1TP53CYP3A4
SCHEMBL4633219 0.67 TYR (0.50) TYRTLR8CTRCMEN1TP53

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