SCHEMBL22023596

SCHEMBL22023596

CSc1c(C)cc(C(C)C)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
LMNA P02545 1/20 0.32
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
POLB P06746 1/20 0.31
GFER P55789 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL19029861 0.74 CASP1 (0.41) ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL22962176 0.74 ALDH1A1 (0.43) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL10342100 0.74 ALDH1A1 (0.43) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL24344711 0.73 CYP1A2 (0.38) ALDH1A1HIF1AADRA2AADRA2BADRA2C
SCHEMBL26885032 0.71 GAA (0.41) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL28461669 0.71 ALDH1A1 (0.41) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL22047488 0.71 GAA (0.56) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL7169446 0.71 ALDH1A1 (0.48) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL1183197 0.71 ALDH1A1 (0.52) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL17149159 0.70 LMNA (0.37) GAAALDH1A1ALOX12HTTHIF1A

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
US-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed