SCHEMBL5451196

SCHEMBL5451196

O=c1[nH]c(-n2ccnn2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.51
TNKS2 Q9H2K2 4/20 0.47
PARP1 P09874 3/20 0.47
QTRT1 Q9BXR0 1/20 0.47
TNKS O95271 2/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE10A Q9Y233 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL3030437 0.81 HTR3A (0.52) HTR3ATNKS2PARP1QTRT1TNKS
SCHEMBL7018102 0.80 BCHE (0.50) HTR3AALDH1A1MAPTALOX15HSD17B10
SCHEMBL19520508 0.80 HTR3A (0.57) HTR3ATNKS2PARP1QTRT1TNKS
SCHEMBL10634628 0.75 MGLL (0.60) HTR3ATNKS2PARP1QTRT1TNKS
SCHEMBL10633932 0.71 GUSB (0.49) HTR3ATNKS2PARP1QTRT1TNKS
SCHEMBL10638166 0.71 MGLL (0.61) HTR3ATNKS2PARP1QTRT1TNKS
SCHEMBL13363263 0.71 HTR3A (0.76) HTR3APARP1MGLL
SCHEMBL29520225 0.70 HTR3A (0.74) HTR3APARP1MGLL
SCHEMBL10639979 0.70 TNKS2 (0.54) HTR3ATNKS2PARP1QTRT1TNKS
SCHEMBL3025892 0.70 EGLN1 (0.72)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103442567-A Compositions containing polymeric, ionic compounds comprising imidazolium groups BASF SE 2013-12-11 CN disclosed
CN-103269589-A Pesticidal active mixtures comprising pyrazole compounds BASF SE 2013-08-28 CN disclosed
CN-103155942-A Fungicidal mixtures based on azolopyrimidinylamines BASF SE 2013-06-19 CN disclosed
CN-103155949-A Pesticidal mixtures BASF SE 2013-06-19 CN disclosed
WO-2007014012-A2 COMPOSITIONS AND METHODS FOR WOOD PRESERVATION OSMOSE, INC. (US) 2007-02-01 WO disclosed