SCHEMBL3974980

SCHEMBL3974980

CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)csc1N

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
MAPT P10636 6/20 0.65
MAPK1 P28482 2/20 0.65
PRKCZ Q05513 9/20 0.62
HSD17B10 Q99714 6/20 0.60
HPGD P15428 1/20 0.60
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALOX15 P16050 3/20 0.59
USP2 O75604 1/20 0.59
PRKCI P41743 2/20 0.57
GAA P10253 1/20 0.56
KEAP1 Q14145 1/20 0.56
KDM4E B2RXH2 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
MPI P34949 1/20 0.53
LMNA P02545 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52

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
SCHEMBL689305 0.86 ALDH1A1 (0.70) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL8290362 0.86 PRKCZ (0.75) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL8290366 0.85 ALDH1A1 (0.64) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL689202 0.85 PRKCZ (0.73) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL689612 0.84 HSD17B10 (0.77) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL8288638 0.84 PRKCZ (0.72) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL8288636 0.83 ALDH1A1 (0.70) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL8289775 0.82 ALDH1A1 (0.69) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL689025 0.82 PRKCZ (0.73) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL12466271 0.82 ADORA1 (0.49) ALDH1A1MAPTPRKCZHSD17B10HPGD

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
WO-2012100732-A1 RETINOID-RELATED ORPHAN RECEPTOR GAMMA MODULATORS, COMPOSITION CONTAINING THEM AND USES THEREOF GLAXO GROUP LIMITED (GB) 2012-08-02 WO disclosed
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 WO disclosed