SCHEMBL9379652

SCHEMBL9379652

CCOC(=O)c1sc2ccc([N+](=O)[O-])c3c2c1CN(C)CC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
POLB P06746 3/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 8/20 0.40
KMT2A Q03164 8/20 0.39
MEN1 O00255 6/20 0.39
GAA P10253 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
L3MBTL1 Q9Y468 4/20 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
SCHEMBL9533878 0.85 ADRA2A (0.46) KDM4EALDH1A1HPGDHSD17B10ADRA2A
SCHEMBL9380029 0.83 ADRA2A (0.46) KDM4EALDH1A1HPGDHSD17B10ADRA2A
SCHEMBL9379786 0.83 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10ADRA2A
SCHEMBL6661600 0.83 ADRA2A (0.61) KDM4EALDH1A1HPGDHSD17B10ADRA2A
SCHEMBL9378871 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10ADRA2A
SCHEMBL9376823 0.82 ADRA2A (0.43) KDM4EALDH1A1HPGDHSD17B10ADRA2A
Hydrochloric Acid SCHEMBL6660045 0.82 ADRA2A (0.60) KDM4EALDH1A1HPGDHSD17B10ADRA2A
SCHEMBL9382237 0.81 ADRA2A (0.42) KDM4EALDH1A1HPGDHSD17B10ADRA2A
SCHEMBL10480272 0.81 ADRA2A (0.58) KDM4EALDH1A1HPGDHSD17B10ADRA2A
SCHEMBL9380584 0.78 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10ADRA2A

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-0344981-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-08-03 EP disclosed
US-5006521-A α-adrenergic receptor antagonists and methods of use thereas SMITHKLINE BEECHAM CORPORATION (US) 1991-04-09 US disclosed
WO-1989012053-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
EP-0344981-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed