SCHEMBL6380676

SCHEMBL6380676

CCOC(=O)c1nc2cc(F)c([N+](=O)[O-])cc2nc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MITF O75030 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
GALR2 O43603 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 2/20 0.40
MAPT P10636 5/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
GLP1R P43220 1/20 0.39
PTGS1 P23219 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
SCHEMBL6377194 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MITFLMNAPOLB
SCHEMBL6602596 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MITFLMNAPOLB
SCHEMBL6376052 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MITFLMNAPOLB
SCHEMBL6603316 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MITFLMNAPOLB
SCHEMBL6604555 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MITFLMNAPOLB
SCHEMBL6381602 0.86 GLP1R (0.49) ALDH1A1SMN1; SMN2MITFLMNAPOLB
SCHEMBL6605451 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MITFLMNAPOLB
SCHEMBL6594520 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MITFLMNAPOLB
SCHEMBL6602490 0.81 GRIA1 (0.41) ALDH1A1SMN1; SMN2MITFLMNAPOLB
SCHEMBL6604561 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MITFLMNAPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156047-B1 6-SUBSTITUTED-7- HETEROQUINOXALINE CARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2005-08-31 EP disclosed
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-6632813-B1 6-subtituted-7-heteroquinoxalinecarboxylic acid derivatives and addition salts thereof and processes for the preparation of both KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-10-14 US disclosed
US-6348461-B1 CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1156047-A1 6-SUBSTITUTED-7- HETEROQUINOXALINE CARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP 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