SCHEMBL6606958

SCHEMBL6606958

CCOC(=O)c1nc2cc(Cn3cnc(CO)c3)c([N+](=O)[O-])cc2nc1OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 3/20 0.36
MITF O75030 2/20 0.36
LMNA P02545 2/20 0.36
GALR2 O43603 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 2/20 0.35
CHEK1 O14757 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MET P08581 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
LTK P29376 1/20 0.34
GRK5 P34947 1/20 0.34

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
SCHEMBL6380913 0.84 GRIA1 (0.41) ALDH1A1SMN1; SMN2MITF
SCHEMBL6606961 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBMITFLMNA
SCHEMBL6604555 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBMITFLMNA
SCHEMBL6376052 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2POLBMITFLMNA
SCHEMBL6603316 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2POLBMITFLMNA
SCHEMBL6602007 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAPTGS1PTGS2
SCHEMBL6381602 0.76 GLP1R (0.49) ALDH1A1SMN1; SMN2POLBMITFLMNA
SCHEMBL6377194 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBMITFLMNA
SCHEMBL6380676 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBMITFLMNA
SCHEMBL6603534 0.75 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2POLBMITFLMNA

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-1020453-B1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-05-19 EP disclosed
US-6348461-B1 CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1020453-A1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed