SCHEMBL7008317

SCHEMBL7008317

Nc1cc(-n2cc(C(=O)O)c(=O)c3cc([N+](=O)[O-])c(F)cc32)c(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.45
LMNA P02545 4/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TOP2A P11388 2/20 0.37
PIM1 P11309 1/20 0.36
NPC1 O15118 1/20 0.36
DRD3 P35462 1/20 0.35
CAPN1 P07384 1/20 0.35

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
SCHEMBL7012361 0.94 TOP1 (0.45) TOP1LMNAKMT2AMAPTPOLB
SCHEMBL7009067 0.92 TOP1 (0.44) TOP1LMNAKMT2AMAPTPOLB
SCHEMBL7010149 0.89 LMNA (0.43) TOP1LMNAKMT2AMAPTPOLB
SCHEMBL7012447 0.89 TOP1 (0.48) TOP1LMNAKMT2AMAPTPOLB
SCHEMBL7012652 0.88 TOP1 (0.41) TOP1LMNAKMT2AMAPTPOLB
SCHEMBL7007469 0.87 TOP1 (0.41) TOP1LMNAKMT2AMAPTPOLB
SCHEMBL7010035 0.86 LMNA (0.47) TOP1LMNAKMT2AMAPTPOLB
SCHEMBL7007774 0.84 TOP1 (0.53) TOP1LMNAKMT2AMAPTPOLB
SCHEMBL7006859 0.82 TOP1 (0.52) TOP1LMNAKMT2AMAPTPOLB
SCHEMBL7010923 0.82 LMNA (0.44) TOP1LMNAKMT2AMAPTPOLB

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