SCHEMBL8522013

SCHEMBL8522013

O=[N+]([O-])c1ccc2c(cnn2-c2c(Cl)cc(Cl)cc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.50
KDR P35968 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
NPBWR1 P48145 2/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
MAOB P27338 1/20 0.38
NOS1 P29475 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
CCR2 P41597 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL27083852 0.78 GLS (0.52) GLSKDRMAPTRAB9AMEN1
SCHEMBL4572853 0.77 NR3C1 (0.56) GLSPOLBALDH1A1
SCHEMBL9206083 0.76 MAPT (0.40) GLSHSD17B10CDK4CCND1MAPT
SCHEMBL19969336 0.75 GLS (0.58) GLSKDRMAPTHPGDPOLB
SCHEMBL2350364 0.75 GLS (0.58) GLSKDRHSD17B10MAPTPOLB
SCHEMBL28190036 0.75 GLS (0.58) GLSKDRMAPTPOLBMAOB
SCHEMBL30716437 0.75 GLS (0.58) GLSKDRHSD17B10MAPTPOLB
SCHEMBL5382099 0.75 RAB9A (0.50) GLSKDRMAPTRAB9AMEN1
SCHEMBL8433358 0.74 GLS (0.46) GLSKDRMAPTRAB9AMEN1
SCHEMBL9207253 0.74 GLS (0.44) GLSKDRMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5928998-A PRE- AND POSTEMERGENCE HERBICIDES ZENECA LIMITED (GB) 1999-07-27 US disclosed
US-5444038-A Arylindazoles and their use as herbicides ZENECA LIMITED (GB) 1995-08-22 US disclosed
EP-0630367-A1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1994-12-28 EP disclosed
WO-1993018008-A1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1993-09-16 WO disclosed