SCHEMBL21995048

SCHEMBL21995048

CCOCCC(O)(CC)[C@@H](C)n1cnc2cnc3ccccc3c21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.37
USP5 P45974 1/20 0.35
TSHR P16473 1/20 0.33
TLR7 Q9NYK1 2/20 0.32
NUDT1 P36639 1/20 0.32
TLR8 Q9NR97 1/20 0.32
MPO P05164 1/20 0.32
NCF1 P14598 1/20 0.32
GBA1 P04062 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CASP6 P55212 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL22749237 0.88 USP5 (0.41) USP5TSHRTLR7NUDT1MPO
SCHEMBL29508378 0.88 USP5 (0.41) USP5TSHRTLR7NUDT1MPO
SCHEMBL21994955 0.82 TLR7 (0.49) TLR7NUDT1TLR8NCF1LMNA
SCHEMBL23924488 0.82 USP5 (0.34) MYCUSP5TSHRTLR7NUDT1
SCHEMBL23924487 0.82 USP5 (0.34) MYCUSP5TSHRTLR7NUDT1
Hydrochloric Acid SCHEMBL21995072 0.81 TLR7 (0.48) TLR7NUDT1TLR8NCF1LMNA
SCHEMBL22749324 0.77 USP5 (0.44) USP5TSHRTLR7NUDT1MEN1
SCHEMBL29508401 0.77 USP5 (0.44) USP5TSHRTLR7NUDT1MEN1
SCHEMBL21995110 0.76 TLR7 (0.36) MYCUSP5TSHRTLR7NUDT1
SCHEMBL21994853 0.76 TLR7 (0.36) MYCUSP5TSHRTLR7NUDT1

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
EP-3887369-A1 N-1 BRANCHED ALKYL ETHER SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS 3M Innovative Properties Company (US) 2021-10-06 EP disclosed
WO-2020109898-A1 N-1 BRANCHED ALKYL ETHER SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-06-04 WO disclosed