SCHEMBL7852072

SCHEMBL7852072

CCOC(=O)c1cc(OC)sc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.65
MAPK1 P28482 2/20 0.65
ALDH1A1 P00352 13/20 0.57
MAPT P10636 9/20 0.57
HPGD P15428 7/20 0.57
HSD17B10 Q99714 5/20 0.57
RAB9A P51151 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALOX15 P16050 3/20 0.57
NPC1 O15118 3/20 0.57
LMNA P02545 2/20 0.57
FHIT P49789 1/20 0.50
KDM4E B2RXH2 2/20 0.48
GRM6 O15303 2/20 0.45
TP53 P04637 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL69313 0.81 GAA (0.71) GAAMAPK1ALDH1A1MAPTHPGD
SCHEMBL12963136 0.80 GAA (0.69) GAAMAPK1ALDH1A1MAPTHPGD
SCHEMBL1973680 0.79 GAA (1.00) GAAMAPK1ALDH1A1MAPTHPGD
SCHEMBL5123339 0.79 GAA (0.67) GAAMAPK1ALDH1A1MAPTHPGD
SCHEMBL7842072 0.77 ALDH1A1 (0.62) GAAMAPK1ALDH1A1MAPTHPGD
SCHEMBL3647679 0.76 GAA (0.63) GAAMAPK1ALDH1A1MAPTHPGD
SCHEMBL5128149 0.76 GAA (0.63) GAAMAPK1ALDH1A1MAPTHPGD
SCHEMBL810348 0.76 GAA (0.77) GAAMAPK1ALDH1A1MAPTHPGD
SCHEMBL12204918 0.76 GAA (0.63) GAAMAPK1ALDH1A1MAPTHPGD
SCHEMBL1604863 0.76 GAA (0.63) GAAMAPK1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805812-B1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ(E)ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2001-06-13 EP disclosed
EP-0805812-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ(E)ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS Abbott Laboratories (US) 1997-11-12 EP disclosed
WO-1996022991-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO disclosed
US-5521181-A Bicyclic substituted hexahydrobenz[e]isoindole α-1 adrenergic antagonists ABBOTT LABORATORIES (US) 1996-05-28 US disclosed