SCHEMBL6604334

SCHEMBL6604334

COc1nc2cc([N+](=O)[O-])c(Oc3cccc([N+](=O)[O-])c3)cc2nc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.43
TTR P02766 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
TBXA2R P21731 1/20 0.40
PDGFRA P16234 1/20 0.40
KDR P35968 1/20 0.40
F10 P00742 1/20 0.40
PIN1 Q13526 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.39
THRB P10828 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PLAU P00749 1/20 0.38
HPSE Q9Y251 1/20 0.38

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
SCHEMBL6603376 0.90 HPSE (0.46) TTRPOLBMAPTALDH1A1MEN1
SCHEMBL6601779 0.80 GRIN2D (0.43) LMNA
SCHEMBL10423776 0.74 ALDH1A1 (0.59) ABCG2POLBMAPTALDH1A1MEN1
SCHEMBL10362242 0.70 MEN1 (0.74) TTRPOLBMAPTALDH1A1MEN1
SCHEMBL5271515 0.69 L3MBTL1 (0.55) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL6602978 0.69 GRIA1 (0.47) LMNAHPSE
SCHEMBL7913156 0.68 PYGL (0.57) MAPTALDH1A1LMNAKDM4EHPSE
SCHEMBL5315872 0.68 MAPT (0.67) TTRPOLBMAPTALDH1A1MEN1
SCHEMBL7823632 0.68 KDM4E (0.55) MAPTALDH1A1KDM4EAKR1C3AKR1C2
SCHEMBL28256432 0.68 KDM4E (0.69) TTRPOLBMAPTALDH1A1MEN1

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