SCHEMBL9379786

SCHEMBL9379786

CCOC(=O)c1sc2ccc(F)c3c2c1CN(C)CC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.47
KMT2A Q03164 6/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 10/20 0.46
HSD17B10 Q99714 5/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 3/20 0.46
TSHR P16473 3/20 0.46
GLA P06280 1/20 0.46
POLB P06746 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
L3MBTL1 Q9Y468 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 4/20 0.43
THRB P10828 1/20 0.42

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 0.89 ADRA2A (0.46) KDM4EKMT2ANPSR1ALDH1A1HSD17B10
SCHEMBL6661600 0.87 ADRA2A (0.61) KDM4EKMT2ANPSR1ALDH1A1HSD17B10
SCHEMBL9378871 0.87 KDM4E (0.48) KDM4EKMT2ANPSR1ALDH1A1HSD17B10
SCHEMBL9380029 0.87 ADRA2A (0.46) KDM4EKMT2ANPSR1ALDH1A1HSD17B10
SCHEMBL9376823 0.86 ADRA2A (0.43) KDM4EKMT2ANPSR1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL6660045 0.86 ADRA2A (0.60) KDM4EKMT2ANPSR1ALDH1A1HSD17B10
SCHEMBL9382237 0.85 ADRA2A (0.42) KDM4EKMT2ANPSR1ALDH1A1HSD17B10
SCHEMBL10480272 0.85 ADRA2A (0.58) KDM4EKMT2ANPSR1ALDH1A1HSD17B10
SCHEMBL9379652 0.83 KDM4E (0.41) KDM4EKMT2ANPSR1ALDH1A1HSD17B10
SCHEMBL9377886 0.81 ALDH1A1 (0.47) KDM4EKMT2ANPSR1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344979-B1 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-09 EP disclosed
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
US-4963547-A HYPOTENSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1990-10-16 US disclosed
WO-1989012054-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
WO-1989012053-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed