SCHEMBL7009723

SCHEMBL7009723

CCNc1c([N+](=O)[O-])cc2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.44
PIM1 P11309 4/20 0.41
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
TOP2A P11388 6/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL7012923 0.90 TOP1 (0.46) TOP1PIM1MAPTKMT2ALMNA
SCHEMBL7006859 0.87 TOP1 (0.52) TOP1PIM1MAPTKMT2ALMNA
SCHEMBL7009285 0.86 TOP1 (0.49) TOP1PIM1MAPTKMT2ALMNA
SCHEMBL7004402 0.84 TOP1 (0.49) TOP1PIM1MAPTKMT2ALMNA
SCHEMBL7007774 0.81 TOP1 (0.53) TOP1PIM1MAPTKMT2ALMNA
SCHEMBL7009334 0.80 PIM1 (0.48) TOP1PIM1KMT2ALMNAPOLB
SCHEMBL19728788 0.80 PIM1 (0.43) TOP1PIM1POLBTOP2ACYP2C9
SCHEMBL7014048 0.80 TOP1 (0.46) TOP1PIM1KMT2ALMNAPOLB
SCHEMBL7099804 0.79 PIM1 (0.47) TOP1PIM1POLBTOP2ACYP2C9
SCHEMBL7007562 0.78 PIM1 (0.46) TOP1PIM1POLBTOP2AKCNH2

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