SCHEMBL2889248

SCHEMBL2889248

COc1cc2c(cc1NS(=O)(=O)CCl)OC(C)(C)[C@@](O)(C(C)(C)C)[C@H]2N(CCc1ccccc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 1/20 0.33
PTK2B Q14289 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.32
LPAR1 Q92633 1/20 0.32
GAA P10253 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FABP4 P15090 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
SCHEMBL3599142 0.84 KCNE1 (0.40) L3MBTL1ALDH1A1MAPK1PTK2B
SCHEMBL3599146 0.84 KCNE1 (0.40) L3MBTL1ALDH1A1MAPK1PTK2B
SCHEMBL2011332 0.81 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HTTTDP1GAA
SCHEMBL2011333 0.81 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HTTTDP1GAA
SCHEMBL2012198 0.81 NPC1 (0.39) L3MBTL1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL12580760 0.79 ABCB1 (0.42)
SCHEMBL4941253 0.74 ALDH1A1 (0.37) L3MBTL1ALDH1A1MAPK1PTK2BSMN1; SMN2
SCHEMBL2875594 0.71 KCNA5 (0.42) ALDH1A1SMN1; SMN2HTTGAAALOX5
SCHEMBL13199529 0.70 ABCB1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL12580677 0.66 ABCB1 (0.41) ALDH1A1SMN1; SMN2HPGDMAPT

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-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed