SCHEMBL5349939

SCHEMBL5349939

Clc1nc2ccccc2c(Cl)c1I

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.61
MAOB P27338 1/20 0.61
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 6/20 0.44
PKM P14618 1/20 0.44
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GLA P06280 3/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL6679033 0.80 MAOA (0.70) MAOAMAOBTDP1KDM4EPKM
SCHEMBL13191573 0.80 MAOA (0.57) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL10527277 0.80 MAOA (0.47) MAOAMAOBTDP1KDM4EPKM
SCHEMBL10527280 0.80 MAOA (0.57) MAOAMAOBTDP1KDM4EPDE4A
SCHEMBL28494617 0.80 MAOA (0.57) MAOAMAOBTDP1KDM4EPDE4A
SCHEMBL29175203 0.78 MAOA (0.67) MAOAMAOBTDP1KDM4EPKM
SCHEMBL455949 0.77 MAOA (1.00) MAOAMAOBTDP1KDM4EALDH1A1
SCHEMBL19575361 0.75 MAOA (0.61) MAOAMAOBTDP1KDM4EPKM
SCHEMBL30774177 0.75 MAOA (0.61) MAOAMAOBTDP1KDM4EPKM
SCHEMBL12874595 0.75 MAOA (0.61) MAOAMAOBTDP1KDM4EPKM

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-2007141529-A1 FLUORIDATION METHOD GE HEALTHCARE LIMITED (GB) 2007-12-13 WO disclosed