SCHEMBL27635147

SCHEMBL27635147

CCC(CC)n1nc(C(=O)NC(CCC(=O)O)C(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
PIN1 Q13526 3/20 0.39
TYMS P04818 1/20 0.37
EPHX2 P34913 1/20 0.36
FOXO1 Q12778 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
P2RY12 Q9H244 1/20 0.34
GART P22102 2/20 0.34
FOLR2 P14207 1/20 0.34
FOLR1 P15328 1/20 0.34
SLC19A1 P41440 1/20 0.34
SLC46A1 Q96NT5 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
FPR2 P25090 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
SCHEMBL1243385 1.00 MEN1 (0.45) MEN1GAAKMT2APIN1TYMS
SCHEMBL1242697 0.85 MEN1 (0.51) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL27635118 0.84 MEN1 (0.54) MEN1GAAKMT2APIN1TYMS
SCHEMBL1242497 0.84 MEN1 (0.54) MEN1GAAKMT2APIN1TYMS
SCHEMBL1243905 0.79 MEN1 (0.47) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL27656155 0.78 MEN1 (0.53) MEN1GAAKMT2APIN1EPHX2
SCHEMBL1243864 0.78 MEN1 (0.53) MEN1GAAKMT2APIN1EPHX2
SCHEMBL261932 0.73 MEN1 (0.52) MEN1GAAKMT2APIN1FOXO1
SCHEMBL1243323 0.72 MEN1 (0.75) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL1242841 0.72 MEN1 (0.58) MEN1GAAKMT2AFOXO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100471842-C Carbostyril derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-03-25 CN claimed
CN-1826321-A Quinolone derivative or its salt YAMANOUCHI PHARMA CO LTD (JP) 2006-08-30 CN claimed
CN-100471842-C Carbostyril derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-03-25 CN disclosed
CN-1826321-A Quinolone derivative or its salt YAMANOUCHI PHARMA CO LTD (JP) 2006-08-30 CN disclosed