SCHEMBL7005289

SCHEMBL7005289

CCOC(=O)C(F)C(=O)c1cc(C)c([N+](=O)[O-])c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 7/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 1/20 0.36
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 2/20 0.34
GALR2 O43603 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
XBP1 P17861 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL7008349 0.85 ALDH1A1 (0.39) KMT2AALDH1A1POLBKDM4EMAPT
SCHEMBL7007314 0.82 KMT2A (0.40) KMT2AALDH1A1POLBKDM4EMAPT
SCHEMBL3190052 0.81 CES2 (0.39) KMT2AALDH1A1MAPTNPC1MEN1
SCHEMBL10510642 0.79 CES2 (0.46) KMT2AALDH1A1MAPTNPC1MEN1
SCHEMBL7004956 0.79 ALDH1A1 (0.35) KMT2AALDH1A1MAPTNPC1MEN1
SCHEMBL4671917 0.77 MAPT (0.37) KMT2AALDH1A1POLBKDM4EMAPT
SCHEMBL7010915 0.77 PDK1 (0.47) KMT2AALDH1A1POLBKDM4EMAPT
SCHEMBL3189052 0.77 SMN1; SMN2 (0.39) KMT2AALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL10516761 0.76 CA12 (0.34) KMT2AALDH1A1MAPTNPC1MEN1
SCHEMBL10628840 0.75 HDAC1 (0.47) ALDH1A1POLBKDM4EMAPTSMN1; SMN2

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