SCHEMBL8306630

SCHEMBL8306630

Cc1cc(-n2nn[nH]c2=O)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 6/20 0.35
HTT P42858 2/20 0.35
MITF O75030 1/20 0.35
TSHR P16473 2/20 0.34
EGFR P00533 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 2/20 0.32
GLA P06280 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL8603308 0.80 HTR7 (0.38) LMNAKMT2AMEN1ALDH1A1HTT
SCHEMBL8307860 0.73 HCAR2 (0.33)
SCHEMBL8302526 0.70 NQO1 (0.32)
SCHEMBL7968381 0.70 MAPT (0.48) MAPTRECQL
SCHEMBL8304792 0.69 HTR7 (0.33)
SCHEMBL8307354 0.69 ALDH1A1 (0.30) ALDH1A1GAA
SCHEMBL8599564 0.68 HSP90AA1 (0.39) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL8307792 0.68
SCHEMBL8307157 0.68 BRD4 (0.33)
SCHEMBL8303879 0.68

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