SCHEMBL9534646

SCHEMBL9534646

CN1CCc2ccc(Cl)c3sc(CNS(=O)(=O)C=Cc4ccccc4)c(c23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
F10 P00742 1/20 0.34
GAA P10253 1/20 0.33
HTR6 P50406 2/20 0.33
HRH1 P35367 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
CDYL Q9Y232 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL9534638 1.00 KMT2A (0.38) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL9535318 0.88 ADRA1A (0.39) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL9535323 0.88 ADRA1A (0.39) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL9535598 0.85 ADRA1D (0.56) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL9535603 0.85 ADRA1D (0.56) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL9534397 0.81 HTR6 (0.37) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL9534388 0.81 HTR6 (0.37) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL9533677 0.79 ADRA2A (0.42) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL9536308 0.79 ADRA2A (0.42) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL9533895 0.75 ADRA2A (0.47) KMT2AMEN1ADRA2AADRA2BADRA2C

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
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