SCHEMBL7842597

SCHEMBL7842597

COC(=S)c1ncccc1-c1nc(OC)cc(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
CTSA P10619 2/20 0.34
FFAR1 O14842 1/20 0.34
CDC7 O00311 1/20 0.34
ADORA2A P29274 1/20 0.33
CYP1A2 P05177 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL10592471 0.83 L3MBTL1 (0.49) GAAHCRTR1HCRTR2MAPTKMT2A
SCHEMBL9870376 0.81 HCRTR1 (0.47) GAAHCRTR1HCRTR2MAPTKMT2A
SCHEMBL7842595 0.78 HCRTR1 (0.43) GAAHCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL11373365 0.74 HCRTR1 (0.40) HCRTR1HCRTR2KDM4E
SCHEMBL10367934 0.70 MAPT (0.45) GAAMAPTKMT2AKDM4EALDH1A1
SCHEMBL7453599 0.69 GAA (0.40) GAAHCRTR1HCRTR2MAPTPIK3CA
SCHEMBL1927920 0.68 ALDH1A1 (0.45) GAAMAPTKMT2AKDM4EALDH1A1
SCHEMBL27569605 0.66 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL8320961 0.66 NPSR1 (0.39) MAPTKMT2A
SCHEMBL28799333 0.65 GAA (0.44) GAAMAPTKMT2AMTORKDM4E

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
EP-0507962-B1 PICOLINIC ACID DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2001-06-13 EP disclosed
US-5391537-A Picolinic acid derivative, and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-02-21 US disclosed
EP-0507962-A1 PICOLINIC ACID DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-10-14 EP disclosed