SCHEMBL30100834

SCHEMBL30100834

O=C(c1cc2cc(-c3ccccc3)ccc2o1)c1cccs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.71
MAPT P10636 5/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
RAB9A P51151 4/20 0.71
MAPK1 P28482 3/20 0.71
NPSR1 Q6W5P4 2/20 0.71
ALOX15 P16050 2/20 0.71
PIM1 P11309 2/20 0.48
PIM2 Q9P1W9 2/20 0.48
FLT3 P36888 3/20 0.45
HPGDS O60760 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
PTPN22 Q9Y2R2 2/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
TSHR P16473 2/20 0.44
PGR P06401 1/20 0.44
POLB P06746 3/20 0.44
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL29848069 0.83 MAPT (1.00) NPC1MAPTSMN1; SMN2RAB9AMAPK1
SCHEMBL657181 0.81 RAB9A (0.70) NPC1MAPTSMN1; SMN2RAB9AMAPK1
SCHEMBL22777752 0.78 PIM1 (0.71) MAPTPIM1PIM2PTPN22TSHR
SCHEMBL5393443 0.78 PIM1 (0.71) MAPTPIM1PIM2PTPN22TSHR
SCHEMBL29448008 0.78 PIM1 (0.71) MAPTPIM1PIM2PTPN22TSHR
SCHEMBL11687990 0.76 GAA (0.61) NPC1MAPTSMN1; SMN2RAB9AMAPK1
SCHEMBL6269928 0.71 GSTA1 (0.62) MAPTALOX15HPGDSHDAC3HDAC1
SCHEMBL11109735 0.70 NPC1 (0.81) NPC1MAPTSMN1; SMN2RAB9AMAPK1
SCHEMBL11446228 0.69 MAPT (0.54) NPC1MAPTRAB9AMAPK1NPSR1
SCHEMBL11535994 0.69 MAPT (0.53) NPC1MAPTSMN1; SMN2RAB9AMAPK1

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