SCHEMBL1973181

SCHEMBL1973181

CCOc1c(N2CCC(OC(=O)O)CC2)c(F)cc2c(=O)c(C(=O)NCc3ccc(OC(F)(F)F)cc3C)cn(CC(F)(F)F)c12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL1972468 0.94 TOP1 (0.36) TOP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL1972467 0.94 TOP1 (0.44) TOP1KDM4EALDH1A1HPGD
SCHEMBL2202260 0.92 TOP1 (0.38) TOP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL1971410 0.91 TOP1 (0.35) TOP1KDM4EALDH1A1KMT2A
SCHEMBL2204187 0.91 POLB (0.38) TOP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL1974194 0.89 TOP1 (0.41) TOP1KDM4EALDH1A1PDE10A
SCHEMBL1971424 0.88 TOP1 (0.43) TOP1KDM4EALDH1A1PDE10A
SCHEMBL1969781 0.87 TOP1 (0.45) TOP1KDM4EALDH1A1HPGD
SCHEMBL1976421 0.87 TOP1 (0.46) TOP1KDM4EALDH1A1
SCHEMBL1974904 0.86 TOP1 (0.45) TOP1KDM4EALDH1A1HPGD

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-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 EP disclosed
EP-1994020-A2 SUBSTITUTED QUINOLONES III AiCuris GmbH & Co. KG (DE) 2008-11-26 EP disclosed
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 WO disclosed