SCHEMBL9535598

SCHEMBL9535598

CN1CCc2c(Cl)ccc3sc(CNS(=O)(=O)/C=C/c4ccccc4)c(c23)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.56
ADRA1A P35348 4/20 0.56
ADRA1B P35368 4/20 0.56
ADRA2A P08913 3/20 0.56
ADRA2B P18089 3/20 0.56
ADRA2C P18825 3/20 0.56
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
CDYL Q9Y232 1/20 0.34
GAA P10253 1/20 0.33
F10 P00742 1/20 0.33
HRH1 P35367 1/20 0.33
HTR6 P50406 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HTR1A P08908 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL9535603 1.00 ADRA1D (0.56) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9536308 0.90 ADRA2A (0.42) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9533677 0.90 ADRA2A (0.42) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9535323 0.86 ADRA1A (0.39) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9535318 0.86 ADRA1A (0.39) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9534646 0.85 KMT2A (0.38) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9534638 0.85 KMT2A (0.38) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9534446 0.84 ADRA1D (0.61) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9533714 0.81 ADRA1A (0.57) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9533895 0.81 ADRA2A (0.47) ADRA1DADRA1AADRA1BADRA2AADRA2B

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-0384677-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-12-01 EP claimed
EP-0384677-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-12-01 EP disclosed
US-4981848-A CARDIOVASCULAR, HYPOTENSIVE, ANTIDEPRESSANT SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
EP-0384677-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed