SCHEMBL6595960

SCHEMBL6595960

CCOC(=O)c1cc2cc(-n3cnc(CO)c3)c([N+](=O)[O-])cc2nc1OCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
MITF O75030 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GALR2 O43603 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36

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 0.86 GRIA1 (0.41) ALDH1A1MITFSMN1; SMN2GRIA1GRIA2
SCHEMBL6595978 0.85 NOTUM (0.39) ALDH1A1HPGD
SCHEMBL6594520 0.79 ALDH1A1 (0.46) ALDH1A1HPGDMITFSMN1; SMN2GALR2
SCHEMBL6606958 0.73 ALDH1A1 (0.36) ALDH1A1HPGDMITFSMN1; SMN2GALR2
SCHEMBL1313884 0.72 ALDH1A1 (0.53) ALDH1A1HPGDMITFSMN1; SMN2GALR2
SCHEMBL6595746 0.71 NOTUM (0.38) ALDH1A1HPGD
SCHEMBL6376375 0.71 GLP1R (0.34) ALDH1A1SMN1; SMN2
SCHEMBL6603200 0.69 GRIA1 (0.41) ALDH1A1HPGDMITFSMN1; SMN2GALR2
SCHEMBL6602490 0.68 GRIA1 (0.41) ALDH1A1HPGDMITFSMN1; SMN2GALR2
SCHEMBL6600183 0.67 L3MBTL1 (0.43) ALDH1A1LMNAPOLB

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-1156044-B1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-08-25 EP disclosed
US-6562839-B1 Effective for the therapy of disorder of cerebral nerve cells as antagonists against excitatory amino acid receptors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-05-13 US disclosed
EP-1156044-A1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed