SCHEMBL7466174

SCHEMBL7466174

O=[N+]([O-])c1ccccc1Oc1ccnc2c(Cl)cccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.66
HPGD P15428 2/20 0.61
ALDH1A1 P00352 7/20 0.57
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
KDM4E B2RXH2 5/20 0.57
TDP1 Q9NUW8 3/20 0.57
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PIN1 Q13526 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HTT P42858 6/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 2/20 0.46
HSP90AA1 P07900 1/20 0.46
OPRK1 P41145 1/20 0.46
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL7461347 0.87 GAA (0.54) GAAHPGDALDH1A1KMT2AMEN1
SCHEMBL7465541 0.86 GAA (0.53) GAAHPGDALDH1A1KMT2AMEN1
SCHEMBL9741294 0.86 GAA (0.48) GAAHPGDALDH1A1KMT2AMEN1
SCHEMBL7466638 0.82 NR4A2 (0.53) GAAHPGDALDH1A1KMT2AMEN1
SCHEMBL7531657 0.82 NR4A2 (0.59) GAAHPGDALDH1A1KMT2AMEN1
SCHEMBL1591706 0.81 POLB (0.58) GAAHPGDALDH1A1KMT2AMEN1
SCHEMBL7466122 0.80 KMT2A (0.65) GAAHPGDALDH1A1KMT2AMEN1
SCHEMBL9446960 0.78 GAA (0.64) GAAHPGDALDH1A1KMT2AMEN1
SCHEMBL12154377 0.77 MEN1 (0.57) GAAALDH1A1KMT2AMEN1KDM4E
SCHEMBL9266291 0.77 HPGD (1.00) GAAHPGDALDH1A1KMT2AMEN1

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-0326330-B1 Quinoline fungicides DOW AGROSCIENCES LLC (US) 2002-07-24 EP claimed
US-5145843-A For plants DOWELANCO (US) 1992-09-08 US claimed
EP-0326330-B1 Quinoline fungicides DOW AGROSCIENCES LLC (US) 2002-07-24 EP disclosed