SCHEMBL30100844

SCHEMBL30100844

Nc1c(C(=O)c2cccs2)oc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 1.00
NPC1 O15118 9/20 1.00
SMN1; SMN2 Q16637 8/20 1.00
RAB9A P51151 7/20 0.67
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
TSHR P16473 2/20 0.67
CASP1 P29466 2/20 0.67
HCRTR1 O43613 1/20 0.67
NPSR1 Q6W5P4 3/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
AHR P35869 2/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
HTT P42858 2/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL30100801 0.79 MAPT (0.65) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL30100808 0.79 MAPT (0.65) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL10439864 0.78 MAPT (0.64) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL28921516 0.77 TSHR (0.66) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL30100795 0.77 TSHR (0.66) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL429754 0.76 MAPT (1.00) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL30100829 0.76 MAPT (0.61) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL16794821 0.75 MAPT (0.77) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL1006030 0.74 MAPT (0.67) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL2774740 0.74 MAPT (0.72) MAPTNPC1SMN1; SMN2RAB9AKMT2A

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
CN-115536646-A Nematicidal active compound and preparation method and application thereof 华东理工大学 2022-12-30 CN disclosed