SCHEMBL8268362

SCHEMBL8268362

CCOC(=O)CCCNc1nc(-c2ccc(-c3ccccc3C=O)cc2)nc2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.77
MAPT P10636 3/20 0.55
TP53 P04637 1/20 0.55
TOP2A P11388 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GBA1 P04062 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
RECQL P46063 2/20 0.51
ACP1 P24666 2/20 0.51
ELANE P08246 1/20 0.50
SIRT5 Q9NXA8 1/20 0.49
RAD52 P43351 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL8270097 0.94 PDE5A (0.67) PDE5AMAPTTP53TOP2ASMN1; SMN2
SCHEMBL8268918 0.91 PDE5A (0.62) PDE5AMAPTTP53TOP2ASMN1; SMN2
SCHEMBL1085482 0.87 PDE5A (1.00) PDE5AMAPTTP53TOP2ASMN1; SMN2
SCHEMBL8268365 0.86 PDE5A (0.78) PDE5AMAPTTP53TOP2ASMN1; SMN2
SCHEMBL8269875 0.86 PDE5A (0.78) PDE5AMAPTTP53TOP2ASMN1; SMN2
SCHEMBL8268905 0.85 PDE5A (0.55) PDE5AMAPTTP53TOP2ASMN1; SMN2
SCHEMBL8269549 0.85 PDE5A (0.86) PDE5AMAPTTP53TOP2ASMN1; SMN2
SCHEMBL8268880 0.80 PDE5A (0.68) PDE5AMAPTTP53TOP2ASMN1; SMN2
SCHEMBL8270076 0.80 PDE5A (0.68) PDE5AMAPTTP53TOP2ASMN1; SMN2
SCHEMBL8268359 0.79 PDE5A (0.66) PDE5AMAPTTP53TOP2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006034512-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 WO disclosed