SCHEMBL5709797

SCHEMBL5709797

CCn1cc(C(=O)Oc2ccc(CNC3CCCC3)cc2)c(=O)c2cc(F)c(F)c(OC(F)(F)Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TOP1 P11387 5/20 0.37
FOXO1 Q12778 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PMP22 Q01453 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRB2 P07550 1/20 0.34

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
SCHEMBL5528222 0.83 STAT3 (0.42) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5709750 0.83 SMN1; SMN2 (0.36) TOP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5710090 0.78 LSS (0.38) KMT2ATOP1ALDH1A1KDM4EHPGD
SCHEMBL5709784 0.77 SMN1; SMN2 (0.36) KMT2ATOP1ALDH1A1KDM4EHPGD
SCHEMBL5531791 0.77 STAT3 (0.43) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL5709767 0.74 SMN1; SMN2 (0.41) KMT2ATOP1ALDH1A1KDM4EHPGD
SCHEMBL5709783 0.72 SMN1; SMN2 (0.41) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5525011 0.69 TOP1 (0.44) MEN1KMT2ATOP1ALDH1A1KDM4E
SCHEMBL3869129 0.69 TOP1 (0.45) MEN1GAAKMT2ATOP1ALDH1A1
SCHEMBL3820416 0.68 TOP1 (0.44) MEN1GAAKMT2ATOP1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732897-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
WO-2005097752-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-20 WO disclosed