SCHEMBL7008042

SCHEMBL7008042

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
TOP1 P11387 5/20 0.39
GSK3B P49841 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
METTL3 Q86U44 1/20 0.35
TOP2A P11388 2/20 0.35
KCNH2 Q12809 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
SCHEMBL7009803 0.88 TOP1 (0.45) PIM1CYP3A4CYP2C9TOP1KDM4E
SCHEMBL8178742 0.87 PIM1 (0.42) PIM1CYP3A4CYP2C9TOP1KDM4E
SCHEMBL7012609 0.87 PIM1 (0.42) PIM1CYP3A4CYP2C9TOP1KDM4E
SCHEMBL7010755 0.86 PIM1 (0.46) PIM1CYP3A4CYP2C9TOP1KDM4E
SCHEMBL7008208 0.85 PIM1 (0.50) PIM1CYP3A4CYP2C9GSK3BKDM4E
Methylamine SCHEMBL7006667 0.85 PIM1 (0.43) PIM1CYP3A4CYP2C9TOP1KDM4E
SCHEMBL7009311 0.83 TOP1 (0.45) CYP3A4CYP2C9TOP1KDM4EPOLB
SCHEMBL7011977 0.81 TOP1 (0.52) PIM1CYP3A4CYP2C9TOP1KDM4E
SCHEMBL7008199 0.81 TOP1 (0.48) PIM1CYP3A4CYP2C9TOP1KDM4E
SCHEMBL7009646 0.79 PIM1 (0.45) PIM1CYP3A4CYP2C9TOP1KDM4E

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