SCHEMBL7007323

SCHEMBL7007323

CNc1c(F)cc2c(=O)c(C(=O)NC(=O)O)cn(-c3cc(N)c(F)cc3F)c2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.38
TOP1 P11387 9/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
TOP2A P11388 6/20 0.36
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
STAT3 P40763 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7010755 0.90 PIM1 (0.46) PIM1TOP1CYP3A4CYP2C9TOP2A
SCHEMBL7005754 0.88 CYP3A4 (0.41) PIM1TOP1CYP3A4CYP2C9TOP2A
SCHEMBL7007014 0.85 PIM1 (0.44) PIM1TOP1CYP3A4CYP2C9TOP2A
SCHEMBL7009646 0.83 PIM1 (0.45) PIM1TOP1CYP3A4CYP2C9TOP2A
SCHEMBL7008326 0.82 PIM1 (0.44) PIM1TOP1CYP3A4CYP2C9TOP2A
SCHEMBL7014048 0.81 TOP1 (0.46) PIM1TOP1CYP3A4CYP2C9TOP2A
SCHEMBL19729362 0.80 PIM1 (0.45) PIM1TOP1CYP3A4CYP2C9TOP2A
SCHEMBL7009334 0.80 PIM1 (0.48) PIM1TOP1CYP3A4CYP2C9TOP2A
Methylamine SCHEMBL7006667 0.80 PIM1 (0.43) PIM1TOP1CYP3A4CYP2C9TOP2A
SCHEMBL7007246 0.80 PIM1 (0.45) PIM1TOP1CYP3A4CYP2C9TOP2A

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