SCHEMBL13145877

SCHEMBL13145877

COc1ccc2nccc(C(O)CN3CCCC(CNC(=O)OC(C)(C)C)C3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.52
KCNH2 Q12809 3/20 0.48
CYP2D6 P10635 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRM1 P35372 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL5652039 0.90 SLC2A1 (0.55) SLC2A1KCNH2
SCHEMBL5438226 0.88 IRAK1 (0.42) SLC2A1
SCHEMBL14514795 0.86 SLC2A1 (0.52) SLC2A1KCNH2
SCHEMBL5428023 0.85 SLC2A1 (0.42) SLC2A1ALDH1A1KMT2A
SCHEMBL13145889 0.85 SLC2A1 (0.49) SLC2A1KCNH2
SCHEMBL5432565 0.84 SLC2A1 (0.50) SLC2A1KCNH2
SCHEMBL5652953 0.82 SLC2A1 (0.53) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL3685796 0.82 SLC2A1 (0.53) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL3694581 0.82 SLC2A1 (0.53) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL4281088 0.82 SLC2A1 (0.69) SLC2A1KCNH2

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-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed