SCHEMBL9711530

SCHEMBL9711530

CCCCc1cc(O)ccc1N=Nc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.50
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GLO1 Q04760 1/20 0.44
POLB P06746 2/20 0.43
CYP2D6 P10635 1/20 0.43
PHLPP2 Q6ZVD8 4/20 0.42
TYR P14679 2/20 0.42
ATIC P31939 1/20 0.42
EGFR P00533 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL9711525 1.00 RPS6KA3 (0.50) RPS6KA3CYP2C9CYP2C19HSD17B10GLO1
SCHEMBL13604796 0.78 RPS6KA3 (0.38) RPS6KA3CYP2C9CYP2C19HSD17B10GLO1
SCHEMBL29378452 0.77 EGFR (0.69) RPS6KA3CYP2C9CYP2C19HSD17B10GLO1
SCHEMBL112101 0.77 EGFR (0.69) RPS6KA3CYP2C9CYP2C19HSD17B10GLO1
SCHEMBL112102 0.77 EGFR (0.69) RPS6KA3CYP2C9CYP2C19HSD17B10GLO1
SCHEMBL28093072 0.76 ALOX5 (0.51) HSD17B10TYREGFRLMNAMEN1
SCHEMBL14563174 0.76 POLB (0.44) RPS6KA3CYP2C9CYP2C19HSD17B10GLO1
SCHEMBL144372 0.76 EGFR (0.67) RPS6KA3CYP2C9CYP2C19HSD17B10GLO1
SCHEMBL144370 0.76 EGFR (0.67) RPS6KA3CYP2C9CYP2C19HSD17B10GLO1
SCHEMBL4842755 0.74 RPS6KA3 (0.55) RPS6KA3CYP2C9CYP2C19HSD17B10GLO1

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-1992017550-A1 BIODEGRADABLE AZO DYES IDAHO RESEARCH FOUNDATION, INC. (US) 1992-10-15 WO disclosed