SCHEMBL6599201

SCHEMBL6599201

Nc1cc([N+](=O)[O-])c(F)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HIF1A Q16665 1/20 0.43
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PRKDC P78527 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ERN1 O75460 2/20 0.41
VCAM1 P19320 1/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ESPL1 Q14674 1/20 0.40
XDH P47989 1/20 0.40
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL16370945 0.82 ATM (0.48) TDP1ATMALDH1A1HIF1ACYP3A4
SCHEMBL29595940 0.82 TDP1 (0.52) TDP1ATMALDH1A1HIF1ACYP3A4
SCHEMBL3990674 0.82 TDP1 (0.52) TDP1ATMALDH1A1HIF1ACYP3A4
SCHEMBL4301198 0.81 ATM (0.47) TDP1ATMALDH1A1HIF1ACYP3A4
SCHEMBL500039 0.80 TDP1 (0.50) TDP1ATMALDH1A1HIF1ACYP3A4
SCHEMBL14247146 0.80 MAPT (0.50) TDP1ATMALDH1A1HIF1ACYP3A4
SCHEMBL29955731 0.80 TDP1 (0.43) TDP1ATMALDH1A1HIF1ACYP3A4
SCHEMBL8270845 0.79 TDP1 (0.42) TDP1ATMALDH1A1HIF1ACYP3A4
SCHEMBL30110723 0.78 TDP1 (0.52) TDP1ATMALDH1A1HIF1ACYP3A4
SCHEMBL564506 0.78 TDP1 (0.52) TDP1ATMALDH1A1HIF1ACYP3A4

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-1156044-B1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-08-25 EP disclosed
US-6562839-B1 Effective for the therapy of disorder of cerebral nerve cells as antagonists against excitatory amino acid receptors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-05-13 US disclosed
EP-1156044-A1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed