SCHEMBL8890440

SCHEMBL8890440

CCCOc1ccc(CC(=O)NC(CC)c2ccc[nH]2)cc1S(=O)(=O)NC(=S)NC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KMT2A Q03164 3/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.32
TBXA2R P21731 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8890783 0.93 ABCC8 (0.38) GAATDP1ALDH1A1MAPTLMNA
SCHEMBL8890980 0.92 TBXA2R (0.35) GAATDP1ALDH1A1MAPTLMNA
SCHEMBL8891137 0.91 GAA (0.39) GAATDP1ALDH1A1MAPTLMNA
SCHEMBL8901725 0.91 ABCC9 (0.46) GAATDP1ALDH1A1LMNAL3MBTL1
SCHEMBL8890801 0.87 ABCC9 (0.34) GAATDP1ALDH1A1MAPTLMNA
SCHEMBL8890827 0.86 ALDH1A1 (0.44) GAATDP1ALDH1A1MAPTLMNA
SCHEMBL8890364 0.85 ABCC9 (0.37) GAATDP1ALDH1A1MAPTLMNA
SCHEMBL8890663 0.85 ALDH1A1 (0.35) GAAALDH1A1MAPTLMNAL3MBTL1
SCHEMBL8890673 0.84 NPSR1 (0.43) GAATDP1ALDH1A1MAPTLMNA
SCHEMBL8890794 0.84 ABCC9 (0.32) GAATDP1ABCC9ABCC8KCNJ11

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-5607976-A ANNTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed