SCHEMBL6602274

SCHEMBL6602274

CCOC(=O)c1nc2cc(F)c([N+](=O)[O-])cc2n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MET P08581 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 1/20 0.40
CDK8 P49336 1/20 0.40
PRKX P51817 1/20 0.40
NEK2 P51955 1/20 0.40
LIMK1 P53667 1/20 0.40
CDK5 Q00535 1/20 0.40

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
SCHEMBL6607610 0.84 MAPT (0.47) MAPTALDH1A1LMNANPSR1KDM4E
SCHEMBL6605386 0.77 CHEK1 (0.49) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL6602596 0.76 ALDH1A1 (0.41) MAPTALDH1A1LMNANPSR1CHEK1
SCHEMBL6377194 0.76 ALDH1A1 (0.44) MAPTALDH1A1LMNANPSR1KDM4E
SCHEMBL6380676 0.76 ALDH1A1 (0.44) MAPTALDH1A1LMNANPSR1KDM4E
SCHEMBL3346273 0.72 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL15147594 0.72 TARBP2 (0.48) MAPTALDH1A1KDM4ERXFP1SMN1; SMN2
SCHEMBL2783058 0.71 OGFRL1 (0.56) MAPTALDH1A1KDM4ERXFP1
SCHEMBL15323840 0.70 MAPT (0.76) MAPTALDH1A1LMNANPSR1KDM4E
SCHEMBL25352364 0.69 ALDH1A1 (0.53) MAPTALDH1A1LMNANPSR1KDM4E

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