SCHEMBL28330693

SCHEMBL28330693

COc1ccc(C=NNC(N)=S)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.80
MAOA P21397 1/20 0.62
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 3/20 0.60
CYP1A2 P05177 1/20 0.60
ALOX12 P18054 2/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MPO P05164 2/20 0.58
GRIN2D O15399 1/20 0.58
GRIN3B O60391 1/20 0.58
GRIN1 Q05586 1/20 0.58
GRIN2A Q12879 1/20 0.58

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
SCHEMBL10709406 0.89 MMP9 (1.00) MMP9MAOAHPGDSMN1; SMN2MAPT
SCHEMBL7747080 0.86 SMN1; SMN2 (0.64) MMP9SMN1; SMN2MAPTCYP1A2ALDH1A1
SCHEMBL7747076 0.86 SMN1; SMN2 (0.64) MMP9SMN1; SMN2MAPTCYP1A2ALDH1A1
SCHEMBL24211803 0.86 SMN1; SMN2 (0.61) MMP9SMN1; SMN2MAPTCYP1A2ALDH1A1
SCHEMBL13673576 0.84 SMN1; SMN2 (0.60) MMP9SMN1; SMN2MAPTCYP1A2ALDH1A1
SCHEMBL23996059 0.84 SMN1; SMN2 (0.60) MMP9SMN1; SMN2MAPTCYP1A2ALDH1A1
SCHEMBL19449697 0.82 MAPT (0.64) MMP9SMN1; SMN2MAPTCYP1A2ALDH1A1
SCHEMBL12858839 0.82 KDM4E (0.70) MMP9LMNAHTTKMT2AKDM4E
SCHEMBL8848975 0.81 SMN1; SMN2 (0.70) SMN1; SMN2MAPTCYP1A2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL17560998 0.81 MAPT (0.62) MMP9SMN1; SMN2MAPTCYP1A2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106818767-B A kind of composition pesticide and its preparation and application 山东农业大学 2019-11-22 CN claimed
CN-106818767-B A kind of composition pesticide and its preparation and application 山东农业大学 2019-11-22 CN disclosed
CN-106818767-B A kind of composition pesticide and its preparation and application 山东农业大学 2019-11-22 CN disclosed