SCHEMBL5199196

SCHEMBL5199196

Fc1ccccc1CCc1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
IDO1 P14902 3/20 0.50
DAO P14920 2/20 0.49
MAOB P27338 4/20 0.47
AOC3 Q16853 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PTGS2 P35354 1/20 0.41
MAOA P21397 1/20 0.41
NR3C2 P08235 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
SCHEMBL17329111 0.89 IDO1 (0.59) IDO1DAOMAOBKDM4EALDH1A1
SCHEMBL8526001 0.82 TAAR1 (0.75) TAAR1IDO1DAOMAOBAOC3
SCHEMBL1011004 0.81 MAOB (0.57) TAAR1IDO1DAOMAOBKDM4E
SCHEMBL29915506 0.81 MAOB (0.57) TAAR1IDO1DAOMAOBKDM4E
Iodide SCHEMBL28682742 0.79 MAOB (0.55) TAAR1IDO1DAOMAOBKDM4E
SCHEMBL17671285 0.79 KDM4E (0.54) IDO1DAOMAOBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6944674 0.79 MAOB (0.59) TAAR1IDO1DAOMAOBKDM4E
SCHEMBL2089439 0.78 IDO1 (0.53) IDO1DAOMAOBKDM4EALDH1A1
SCHEMBL2096671 0.78 IDO1 (0.53) TAAR1IDO1DAOMAOBKDM4E
SCHEMBL3978648 0.77 IDO1 (0.52) IDO1DAOMAOBKDM4EALDH1A1

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-1814863-A1 INDAZOLE SULPHONAMIDE DERIVATIVES AstraZeneca AB (SE) 2007-08-08 EP disclosed
WO-2006052190-A1 INDAZOLE SULPHONAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-05-18 WO disclosed