SCHEMBL6602905

SCHEMBL6602905

CCOC(=O)c1nc2cc(N3CCN(c4ccc(OC)cc4)CC3)c([N+](=O)[O-])cc2nc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.52
MAPT P10636 12/20 0.52
MGLL Q99685 1/20 0.47
RECQL P46063 1/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL6604939 0.81 GFER (0.52) GFERMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6607136 0.79 ALDH1A1 (0.43) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL6607045 0.77 ALDH1A1 (0.43) MAPTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL6607856 0.76 MAPT (0.45) MAPTALDH1A1SMN1; SMN2
SCHEMBL6602596 0.75 ALDH1A1 (0.41) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL8369082 0.73 PPARG (0.43) MAPTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL6604726 0.72 ALDH1A1 (0.38) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL6604072 0.72 ALDH1A1 (0.46) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL6602007 0.69 ALDH1A1 (0.47) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL6603316 0.69 ALDH1A1 (0.45) MAPTLMNAALDH1A1GAASMN1; SMN2

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