SCHEMBL9877332

SCHEMBL9877332

CCOC(=O)C(C)n1ncc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
L3MBTL1 Q9Y468 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 4/20 0.48
GPR119 Q8TDV5 3/20 0.47
NPC1 O15118 2/20 0.47
NFKB1 P19838 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 3/20 0.46
GLA P06280 1/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
STAT1 P42224 1/20 0.46
PTGIR P43119 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL9877007 0.78 GFER (0.50) MAPTL3MBTL1SMN1; SMN2ALDH1A1GPR119
SCHEMBL5062856 0.75 ALDH1A1 (0.67) MAPTL3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL21135430 0.74 HTR2A (0.42) MAPTL3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL9877609 0.74 SMN1; SMN2 (0.51) MAPTL3MBTL1SMN1; SMN2ALDH1A1GPR119
SCHEMBL9877095 0.74 SMN1; SMN2 (0.76) MAPTL3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL8947258 0.74 MAPT (0.55) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL9877381 0.73 L3MBTL1 (0.57) MAPTL3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL9799766 0.71 MAPT (0.68) MAPTL3MBTL1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9877279 0.69 SMN1; SMN2 (0.68) MAPTL3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL1198616 0.69 ALDH1A1 (0.44) MAPTL3MBTL1SMN1; SMN2ALDH1A1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988725-A Cardiovascular disorders, antiarrhythmia agents STERLING DRUG INC. (US) 1991-01-29 US disclosed
EP-0388654-A2 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4916150-A 1H-pyrazole-1-alkanamines antiarrhythmic compositions and use STERLING DRUG INC. (US) 1990-04-10 US disclosed