SCHEMBL9534803

SCHEMBL9534803

CN1CCc2c(Cl)cc(Cl)c3sc(CNC(=O)OCc4ccccc4)c(c23)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.40
ADORA1 P30542 2/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
FLT1 P17948 2/20 0.37
KDR P35968 2/20 0.37
FLT3 P36888 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PREP P48147 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FNTA P49354 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
SCHEMBL9534287 0.85 ADORA1 (0.40) ADORA1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9535778 0.81 KAT2B (0.39) KAT2BADORA1TMEM97SIGMAR1FLT1
SCHEMBL9534814 0.80 ADRA2A (0.42) ADORA1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9376562 0.74 ADRA1D (0.50) ADORA1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9535559 0.74 ADRA2A (0.64) ADORA1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9535318 0.73 ADRA1A (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534672 0.73 TMEM97 (0.40) KAT2BADRA2AADRA2BADRA2CTMEM97
SCHEMBL9533257 0.71 ADRA2A (0.57) ADORA1ADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL9379531 0.69 KDM4E (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9533309 0.66 ADRA1D (0.68) ADORA1ADRA2AADRA2BADRA2CADRA1D

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 2 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