SCHEMBL8308731

SCHEMBL8308731

Cc1c(-n2nn[nH]c2=O)ncn1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
PMP22 Q01453 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
GDA Q9Y2T3 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
SCHEMBL8309249 0.77 CYP3A4 (0.33) CYP3A4PMP22MAPK1ALDH1A1LMNA
SCHEMBL8308632 0.70
SCHEMBL8304692 0.70 KDM4E (0.37)
SCHEMBL8306751 0.70
SCHEMBL8302524 0.70
SCHEMBL8303743 0.70 CYP3A4 (0.30) CYP3A4PMP22MAPK1ALDH1A1LMNA
SCHEMBL8691683 0.69 NPSR1 (0.40) MAPK1ALDH1A1LMNA
SCHEMBL8308478 0.69 POLB (0.32) ALDH1A1LMNAMAPT
SCHEMBL8302279 0.68 LPO (0.34)
SCHEMBL8307321 0.68 GRM7 (0.31) TSHR

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