SCHEMBL3974925

SCHEMBL3974925

CC(CI)c1ccccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.46
HTT P42858 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
METAP2 P50579 1/20 0.40
BCAT2 O15382 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PARP1 P09874 2/20 0.38
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL1380696 0.84 TSHR (0.55) IRAK4HTTTSHRALDH1A1MAPT
SCHEMBL8526511 0.84 TSHR (0.55) IRAK4HTTTSHRALDH1A1MAPT
SCHEMBL3380036 0.84 IRAK4 (0.47) IRAK4HTTTSHRALDH1A1MAPT
SCHEMBL2848767 0.82 HTT (0.47) IRAK4HTTTSHRALDH1A1MAPT
SCHEMBL1003281 0.81 HTT (0.46) IRAK4HTTTSHRALDH1A1MAPT
SCHEMBL105262 0.81 IRAK4 (0.55) IRAK4HTTTSHRALDH1A1MAPT
SCHEMBL31632660 0.81 IRAK4 (0.55) IRAK4HTTTSHRALDH1A1MAPT
Acetic Acid SCHEMBL8193458 0.79 BCAT2 (0.44) IRAK4HTTTSHRALDH1A1MAPT
SCHEMBL6151172 0.79 IRAK4 (0.44) IRAK4HTTTSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL7849679 0.79 IRAK4 (0.53) IRAK4HTTTSHRALDH1A1MAPT

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-2009050243-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed