SCHEMBL6187166

SCHEMBL6187166

O=C(O)c1nc(-c2ccccc2)c(-c2cc3c(cc2Br)OCCO3)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.36
HPGD P15428 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 4/20 0.35
HTT P42858 3/20 0.35
USP2 O75604 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 4/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CNR2 P34972 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL6187754 0.91 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1NPC1RAB9AGAA
SCHEMBL5909662 0.85 DHODH (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL5909632 0.84 CNR1 (0.54) SMN1; SMN2ALDH1A1NPC1RAB9AGAA
SCHEMBL6205733 0.78 CNR1 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL5909583 0.77 DHODH (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AGAA
SCHEMBL5909511 0.75 CNR1 (0.54) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL5924855 0.73 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1GAAKMT2AKDM4E
Hydrochloric Acid SCHEMBL11231052 0.72 PTGS2 (0.56) SMN1; SMN2ALDH1A1GAAKMT2AKDM4E
SCHEMBL26722350 0.72 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL27621009 0.72 XIAP (0.55) SMN1; SMN2ALDH1A1GAAKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592403-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE THIAZOLE DERIVATIVE AND EXCIPIENTS LIKE MIDDLE CHAIN TRIGLYCERIDES AstraZeneca AB (SE) 2005-11-09 EP claimed
EP-1581214-A1 4,5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS Astrazeneca AB (SE) 2005-10-05 EP claimed
WO-2004069226-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE THIAZOLE DERIVATIVE AND EXCIPIENTS LIKE MIDDLE CHAIN TRIGLYCERIDES ASTRAZENECA AB (SE) 2004-08-19 WO claimed
WO-2004058255-A1 4, 5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS ASTRAZENECA AB (SE) 2004-07-15 WO claimed
EP-1592403-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE THIAZOLE DERIVATIVE AND EXCIPIENTS LIKE MIDDLE CHAIN TRIGLYCERIDES AstraZeneca AB (SE) 2005-11-09 EP disclosed
WO-2004069226-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE THIAZOLE DERIVATIVE AND EXCIPIENTS LIKE MIDDLE CHAIN TRIGLYCERIDES ASTRAZENECA AB (SE) 2004-08-19 WO disclosed