SCHEMBL6585433

SCHEMBL6585433

Cc1snnc1C(=NO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 3/20 0.42
GFER P55789 2/20 0.42
MGLL Q99685 4/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
MAPK14 Q16539 1/20 0.35
ILK Q13418 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7655445 1.00 ALDH1A1 (0.43) ALDH1A1GAAHPGDGFERMGLL
SCHEMBL6585431 1.00 ALDH1A1 (0.43) ALDH1A1GAAHPGDGFERMGLL
SCHEMBL9228109 0.84 ALDH1A1 (0.40) ALDH1A1GAAMAPTPOLBHTT
SCHEMBL7465554 0.83 NPSR1 (0.40) ALDH1A1GAAHPGDMAPTNPSR1
SCHEMBL7466770 0.83 NPSR1 (0.40) ALDH1A1GAAHPGDMAPTNPSR1
SCHEMBL6600996 0.74 TBXA2R (0.36) ALDH1A1GAAHPGDMAPTSMN1; SMN2
SCHEMBL6601795 0.70 ALDH1A1 (0.43) ALDH1A1GAAHPGDGFERMGLL
SCHEMBL6601791 0.70 ALDH1A1 (0.43) ALDH1A1GAAHPGDGFERMGLL
SCHEMBL15372850 0.70 ALDH1A1 (0.43) ALDH1A1GAAHPGDGFERMGLL
SCHEMBL273196 0.70 HPGD (0.64) ALDH1A1GAAHPGDGFERMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11269176-A None JP disclosed
EP-1038874-B1 OXIME DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THE SAME DAINIPPON INK & CHEMICALS (JP) 2004-03-03 EP disclosed
US-6340697-B1 PESTICIDES, PLANT DISEASE CONTROL AGENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-01-22 US disclosed
JP-2000351772-A PRODUCTION OF NEW OXIDE DERIVATIVE SAGAMI CHEM RES CENTER 2000-12-19 JP disclosed
EP-1038874-A1 OXIME DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-27 EP disclosed
JP-H11269176-A OXIME DERIVATIVE AND AGROCHEMICAL CONTAINING THE DERIVATIVE SAGAMI CHEM RES CENTER 1999-10-05 JP disclosed