SCHEMBL8302407

SCHEMBL8302407

CCn1nc(C)c(-n2nn[nH]c2=O)c1C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
KDM4E B2RXH2 1/20 0.31
C5AR1 P21730 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA4 P48058 1/20 0.30
GRIK5 Q16478 1/20 0.30

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
SCHEMBL8304600 0.79 POLB (0.49) LMNAKDM4EALDH1A1
SCHEMBL8302340 0.79 LMNA (0.33) LMNAHTTKDM4EALDH1A1
SCHEMBL8306665 0.70 L3MBTL1 (0.33) KDM4E
SCHEMBL3172918 0.69
SCHEMBL8307838 0.68
SCHEMBL8304992 0.68 NFE2L2 (0.32)
SCHEMBL8306783 0.66
SCHEMBL8307157 0.66 BRD4 (0.33)
SCHEMBL8977225 0.65 ALDH1A1 (0.39) LMNAHTTALDH1A1
SCHEMBL8977207 0.65 ALDH1A1 (0.39) LMNAHTTKDM4EALDH1A1

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-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