SCHEMBL8947244

SCHEMBL8947244

C[C@H](N[C@H](C(N)=O)c1cccs1)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
ALDH1A1 P00352 3/20 0.45
POLB P06746 3/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GFER P55789 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 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
SCHEMBL6630179 0.83 ALOX5 (0.42) ALOX5ALDH1A1POLBMAPTHPGD
SCHEMBL8255644 0.80 ALOX5 (0.47) ALOX5ALDH1A1POLBMAPTHPGD
SCHEMBL10484390 0.78 ALOX5 (0.43) ALOX5ALDH1A1POLBMAPTHPGD
SCHEMBL10388765 0.78 ALOX5 (0.46) ALOX5ALDH1A1POLBMAPTHPGD
SCHEMBL8840349 0.77 ALOX5 (0.45) ALOX5ALDH1A1POLBMAPTHPGD
SCHEMBL2370715 0.75 ALOX5 (0.59) ALOX5ALDH1A1POLBMAPTHPGD
SCHEMBL10208107 0.75 ALOX5 (0.59) ALOX5ALDH1A1POLBMAPTHPGD
SCHEMBL3028400 0.75 ALOX5 (0.44) ALOX5ALDH1A1POLBMAPTHPGD
SCHEMBL105608 0.75 ALOX5 (0.41) ALOX5ALDH1A1POLBMAPTHPGD
Hydrochloric Acid SCHEMBL5353438 0.74 ALOX5 (0.57) ALOX5ALDH1A1POLBMAPTHPGD

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
US-5583092-A PLANT ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1996-12-10 US disclosed
EP-0726261-A1 Herbidical 1,2,4 thiadiazoles American Cyanamid Company (US) 1996-08-14 EP disclosed
EP-0726260-A1 Herbicidal (1,2,4)thiadiazoles AMERICAN CYANAMID COMPANY (US) 1996-08-14 EP disclosed