SCHEMBL650718

SCHEMBL650718

COc1cc2nc(C)c(O)nc2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.50
PGK1 P00558 5/20 0.44
PDE4A P27815 1/20 0.42
PDE4D Q08499 1/20 0.42
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RPS6KB2 Q9UBS0 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMPD3 Q9NY59 1/20 0.39

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
SCHEMBL1258372 0.87 NQO2 (0.58) NQO2PGK1PDE4APDE4DPDGFRB
SCHEMBL346704 0.84 NQO2 (0.60) NQO2PGK1PDGFRBPDGFRAALDH1A1
SCHEMBL15581110 0.80 TDP1 (0.42) NQO2ALDH1A1PDE10AKDM4ESMN1; SMN2
SCHEMBL6109887 0.79 NQO2 (0.51) NQO2PGK1PDE4APDE4DPDGFRB
SCHEMBL11205485 0.79 NQO2 (0.45) NQO2PGK1PDE4APDE4DALDH1A1
SCHEMBL2490947 0.78 KDM4E (0.56) NQO2ALDH1A1KDM4ESMN1; SMN2GLA
SCHEMBL14734394 0.77 KDM4E (0.59) NQO2ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL11202172 0.76 PDE4A (0.47) NQO2PGK1PDE4APDE4DPDGFRB
SCHEMBL21497948 0.76 NQO2 (0.61) NQO2PGK1PDE4APDE4DPDGFRB
SCHEMBL12583519 0.74 HRH4 (0.44) NQO2PGK1ALDH1A1KDM4EGAA

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
US-8119374-B2 Nucleotide sequences of coryneform bacteria coded for proteins participating in L-serine metabolism and method for microbial production of L-serine FORSCHUNGSZENTRUM JULICH GMBH (DE) 2012-02-21 US disclosed
US-20090061482-A1 NUCLEOTIDE SEQUENCES OF CORYNEFORM BACTERIA CODED FOR PROTEINS PARTICIPATING IN L-SERINE METABOLISM AND METHOD FOR MICROBIAL PRODUCTION OF L-SERINE PETERS-WENDISCH PETRA 2009-03-05 US disclosed
US-20060204963-A1 Nucleotide sequences of coryneform bacteria coding for proteins involved in l-serine metabolism and method for producing l-serine FORSCHUNGSZENTRUM JULICH GMBH (DE) 2006-09-14 US disclosed