SCHEMBL454902

SCHEMBL454902

O=C(CC1CCCN1)c1cc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.64
IDO1 P14902 4/20 0.51
FLT3 P36888 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 1/20 0.48
DAO P14920 1/20 0.48
SRD5A2 P31213 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
AKR1C3 P42330 4/20 0.46
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL7259346 0.76 PYGL (0.42) MAOBKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL456348 0.75 SMYD3 (0.47) HRH4FAAH
SCHEMBL11343167 0.74 KHK (0.52) KDM4EHPGDMAPTALDH1A1MAPK1
SCHEMBL9054518 0.73 HTR6 (0.50) HRH3
SCHEMBL27743091 0.73 FLT3 (0.51) MAOBIDO1FLT3KDM4EHPGD
SCHEMBL11816064 0.73 KHK (0.52) HPGDMAPTALDH1A1
SCHEMBL28414304 0.72 IDO1 (0.64) MAOBIDO1FLT3KDM4EHPGD
SCHEMBL6923977 0.72 IDO1 (0.68) MAOBIDO1FLT3KDM4EHPGD
SCHEMBL2730199 0.70 IDO1 (0.66) MAOBIDO1FLT3KDM4EHPGD
SCHEMBL7844858 0.70 IDO1 (0.66) MAOBIDO1FLT3KDM4EHPGD

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-2613630-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Cempra Pharmaceuticals, Inc. (US) 2013-07-17 EP disclosed
WO-2012034058-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-03-15 WO disclosed