SCHEMBL8306750

SCHEMBL8306750

COc1snc(Cl)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL27042708 0.73 HCAR2 (0.36) ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL6261011 0.73 L3MBTL1 (0.36) ALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL11796870 0.72 KMT2A (0.49) ALDH1A1KDM4EHSD17B10L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL8761311 0.71 L3MBTL1 (0.35) ALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL26288476 0.69 SMN1; SMN2 (0.38) ALDH1A1KDM4EHSD17B10L3MBTL1MAPK1
SCHEMBL3841963 0.68
SCHEMBL16049307 0.67 NPSR1 (0.37) ALDH1A1KDM4EHSD17B10SMN1; SMN2CA12
SCHEMBL26288500 0.64 CA12 (0.38) ALDH1A1KDM4EHSD17B10SMN1; SMN2CA12
SCHEMBL7072645 0.64 GAA (0.35) ALDH1A1KDM4EHSD17B10MAPK1SMN1; SMN2
SCHEMBL3355557 0.63 KDM4E (0.42) ALDH1A1KDM4EHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1058490-C Tetrazolinone derivatives BAYER AGROCHEM KK (JP) 2000-11-15 CN disclosed
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed