SCHEMBL6603561

SCHEMBL6603561

CC1(CCOc2c(Cl)ccc(C(=O)O)c2Cl)N=NN=N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
PDE4D Q08499 3/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32
PLAU P00749 1/20 0.31
KMT2A Q03164 3/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 1/20 0.31
CLCN2 P51788 1/20 0.31
MCL1 Q07820 1/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31

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
SCHEMBL6604299 0.90
SCHEMBL6608504 0.85 KMT2A (0.41) KDM4EALDH1A1HTTKMT2AMEN1
SCHEMBL6608753 0.84 IKBKB (0.32) LMNA
SCHEMBL6604193 0.84 KDM4E (0.32) KDM4EHSD17B10ALDH1A1HTTTSHR
SCHEMBL8993574 0.76 ALDH1A1 (0.44) KDM4EHSD17B10ALDH1A1TSHRPLAU
SCHEMBL4250810 0.76 TSHR (0.42) KDM4EHSD17B10ALDH1A1HTTTSHR
SCHEMBL6604522 0.75
SCHEMBL6607789 0.74 ALDH1A1 (0.38) KDM4EALDH1A1HTTTSHRGAA
SCHEMBL6603934 0.74
SCHEMBL6604569 0.72 ALDH1A1 (0.38) KDM4EHSD17B10ALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476437-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES Bayer CropScience AG (DE) 2004-11-17 EP disclosed
WO-2003066607-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 WO disclosed