SCHEMBL6604939

SCHEMBL6604939

COc1nc2cc([N+](=O)[O-])c(N3CCN(c4ccc(F)cc4)CC3)cc2nc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.52
ALDH1A1 P00352 3/20 0.47
MAPT P10636 8/20 0.46
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6602905 0.81 GFER (0.52) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL6604929 0.80 GRIA1 (0.46) ALDH1A1MAPTLMNANPSR1
SCHEMBL6605320 0.70 MAPT (0.49) MAPTSMN1; SMN2
SCHEMBL6603376 0.68 HPSE (0.46) ALDH1A1MAPTLMNANPSR1MEN1
SCHEMBL4921644 0.67 MAPT (0.55) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1138185 0.67 MAPT (0.55) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6603312 0.67 KCNMA1 (0.38) MAPTLMNAMEN1KMT2APOLB
SCHEMBL27272698 0.67 MAPT (0.67) GFERALDH1A1MAPTLMNANPSR1
SCHEMBL16697818 0.66 MAPT (0.65) GFERALDH1A1MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL9382197 0.66 MAPT (0.66) GFERALDH1A1MAPTLMNANPSR1

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