SCHEMBL7011507

SCHEMBL7011507

CCOC(=O)CC(=O)c1cc(C)c(F)c([N+](=O)[O-])c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 4/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 3/20 0.35
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
XBP1 P17861 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MIF P14174 1/20 0.35
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL10391659 0.86 MAPT (0.37) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7010043 0.81 LMNA (0.43) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL1003801 0.79 ALDH1A1 (0.43) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7005285 0.78 MAPT (0.37) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7012924 0.77 ALDH1A1 (0.51) MAPTALDH1A1LMNAPKM
SCHEMBL7004770 0.76 MAPT (0.37) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL9860199 0.76 ALDH1A1 (0.44) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL10616642 0.75 MEN1 (0.41) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL9266164 0.75 MEN1 (0.41) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7008342 0.75 ALDH1A1 (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E

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-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed