SCHEMBL9535741

SCHEMBL9535741

CN1CCc2ccc(Cl)c3sc(CNC(=O)OCc4ccccc4)c(c23)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.42
SIGMAR1 Q99720 6/20 0.42
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
KAT2B Q92831 1/20 0.38
ADORA1 P30542 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9534803 0.88 KAT2B (0.40) TMEM97SIGMAR1KEAP1NFE2L2KAT2B
SCHEMBL9534888 0.85 PRMT5 (0.41) ADORA1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9533864 0.85 ADRA2A (0.56) TMEM97SIGMAR1KEAP1NFE2L2KAT2B
SCHEMBL9534672 0.80 TMEM97 (0.40) TMEM97SIGMAR1KEAP1NFE2L2KAT2B
SCHEMBL9534814 0.78 ADRA2A (0.42) TMEM97SIGMAR1KEAP1NFE2L2ADORA1
SCHEMBL9378841 0.75 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9533699 0.75 ADRA2A (0.47) TMEM97SIGMAR1KEAP1NFE2L2KAT2B
SCHEMBL9534646 0.74 KMT2A (0.38) SIGMAR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9534638 0.74 KMT2A (0.38) SIGMAR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9533916 0.73 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A

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