SCHEMBL23232007

SCHEMBL23232007

C=CC(F)(F)c1ccnc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
SORT1 Q99523 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
IDH1 O75874 1/20 0.35
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
GAA P10253 1/20 0.33
ACVR2A P27037 2/20 0.32
TGFBR1 P36897 1/20 0.32
MAT2A P31153 1/20 0.32
LRRK2 Q5S007 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CCR1 P32246 1/20 0.32

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
SCHEMBL28781272 0.81 LOX (0.41) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL677234 0.80 NOS3 (0.52) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL31121348 0.80 NOS3 (0.52) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL23214996 0.79 SORT1 (0.43) LOXLOXL2SORT1NR2E1HCRTR1
SCHEMBL14768850 0.79 LOX (0.46) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL30947592 0.79 LOX (0.46) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL29664774 0.77 SORT1 (0.37) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL30265238 0.75 SORT1 (0.38) LOXLOXL2SORT1NR2E1HCRTR1
SCHEMBL803416 0.74 LOX (0.48) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL23215152 0.73 LOX (0.45) LOXLOXL2SORT1GABRA1GABRG2

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-2021071843-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS Pipeline Therapeutics, Inc. (US) 2021-04-15 WO disclosed