SCHEMBL6213177

SCHEMBL6213177

O=C(Oc1cccc2nc3ccccc3nc12)Oc1cccc2nc3ccccc3nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.59
ALDH1A1 P00352 5/20 0.53
MAPT P10636 8/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 2/20 0.45
THRB P10828 2/20 0.45
BLM P54132 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
CASP6 P55212 1/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 2/20 0.45
G6PD P11413 1/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL317958 0.87 NQO2 (0.58) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL28567770 0.86 NQO2 (0.61) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL28375189 0.84 NQO2 (0.54) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL28092677 0.83 NQO2 (0.53) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL8940303 0.80 NQO2 (0.54) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL28384802 0.79 NQO2 (0.53) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL182949 0.79 NQO2 (0.66) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL30914170 0.78 NQO2 (0.55) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL30914171 0.78 BCHE (0.52) NQO2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL2291623 0.78 NQO2 (0.70) NQO2ALDH1A1MAPTRAB9AKMT2A

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-1148107-B1 COATED BIOLOGICALLY ACTIVE GRAINS CHISSO CORP (JP) 2005-03-02 EP disclosed
EP-1148107-A1 COATED BIOLOGICALLY ACTIVE GRAINS Chisso Corporation (JP) 2001-10-24 EP disclosed