SCHEMBL11280915

SCHEMBL11280915

Clc1ccc2sc(Cl)nc2c1.Sc1nc2cc(Cl)ccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.51
IDO1 P14902 1/20 0.51
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
PPARA Q07869 5/20 0.41
TMEM97 Q5BJF2 2/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL29619570 0.94 SMN1; SMN2 (0.56) SMN1; SMN2NPSR1LOXL2IDO1HDAC6
SCHEMBL347929 0.94 SMN1; SMN2 (0.56) SMN1; SMN2NPSR1LOXL2IDO1HDAC6
SCHEMBL1880580 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPSR1LOXL2IDO1HDAC6
SCHEMBL780242 0.89 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1LOXL2IDO1HDAC6
SCHEMBL9153184 0.81 SMN1; SMN2 (0.82) SMN1; SMN2NPSR1LOXL2IDO1PPARA
Hydrochlorthiazide SCHEMBL9109038 0.80 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1LOXL2IDO1HDAC6
SCHEMBL10786161 0.79 IDO1 (0.43) SMN1; SMN2NPSR1LOXL2IDO1HDAC6
SCHEMBL3100845 0.79 NPC1 (0.56) SMN1; SMN2NPC1RAB9AGAAPPARA
SCHEMBL9156573 0.79 SMN1; SMN2 (0.60) SMN1; SMN2NPSR1NPC1RAB9AMGAM
SCHEMBL11063766 0.78 NPC1 (0.54) SMN1; SMN2NPC1RAB9AGAAPPARA

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
US-4314065-A HERBICIDES ICI AUSTRALIA LIMITED (AU) 1982-02-02 US disclosed