SCHEMBL7008844

SCHEMBL7008844

CNc1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)c(N)c3)c2c1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.56
TOP1 P11387 8/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HTT P42858 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
TOP2A P11388 7/20 0.41
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
TOP2B Q02880 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL7006342 0.89 PIM1 (0.52) PIM1TOP1ALDH1A1POLBKDM4E
SCHEMBL7010755 0.87 PIM1 (0.46) PIM1TOP1ALDH1A1POLBKDM4E
SCHEMBL7007354 0.86 PIM1 (0.56) PIM1TOP1ALDH1A1POLBKDM4E
SCHEMBL7008208 0.86 PIM1 (0.50) PIM1ALDH1A1POLBKDM4EHSP90AA1
SCHEMBL7011977 0.86 TOP1 (0.52) PIM1TOP1ALDH1A1POLBKDM4E
SCHEMBL7009646 0.86 PIM1 (0.45) PIM1TOP1ALDH1A1POLBKDM4E
SCHEMBL7007014 0.85 PIM1 (0.44) PIM1TOP1ALDH1A1POLBKDM4E
SCHEMBL7008326 0.84 PIM1 (0.44) PIM1TOP1ALDH1A1POLBKDM4E
SCHEMBL7007246 0.84 PIM1 (0.45) PIM1TOP1ALDH1A1POLBKDM4E
SCHEMBL7008199 0.84 TOP1 (0.48) PIM1TOP1ALDH1A1POLBKDM4E

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