SCHEMBL30100829

SCHEMBL30100829

COCc1c(C(=O)c2cccs2)oc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
NPC1 O15118 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 4/20 0.47
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 3/20 0.43
NR1I3 Q14994 1/20 0.43
NPY1R P25929 1/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP1A2 P05177 1/20 0.42

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 0.83 MAPT (0.65) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL701847 0.78 MEN1 (0.60) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30100844 0.76 MAPT (1.00) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30100795 0.73 TSHR (0.66) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL28921516 0.73 TSHR (0.66) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30100808 0.73 MAPT (0.65) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL16688489 0.72 KMT2A (0.79) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10439864 0.72 MAPT (0.64) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10385403 0.69 ALOX15 (0.55) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL15046894 0.67 KDM4E (0.50) MAPTNPC1MEN1KMT2AALDH1A1

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