SCHEMBL6603030

SCHEMBL6603030

COC(=O)c1ccc(Cl)c(CC2(C)N=NN=N2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
ABL1 P00519 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.35
SRC P12931 1/20 0.35
BUB1 O43683 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6607789 0.85 ALDH1A1 (0.38) KMT2ASMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL6608876 0.84 CDK1 (0.34) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL6603271 0.81 MAPT (0.32) KMT2AMAPTRAB9AHPGD
SCHEMBL9079083 0.75 ABL1 (0.42) PTGS2KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3436908 0.75 ABL1 (0.42) PTGS2KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8307454 0.74 ABL1 (0.41) PTGS2KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL17681680 0.74 AKR1B1 (0.49) PTGS2KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL18298886 0.74 ABL1 (0.41) PTGS2KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8145311 0.73 ABL1 (0.41) PTGS2KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL18299807 0.71 TSHR (0.41) PTGS2KMT2AMEN1SMN1; SMN2LMNA

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