SCHEMBL9535778

SCHEMBL9535778

CN1CCc2c(Cl)cc(Cl)c3oc(CNC(=O)OCc4ccccc4)c(c23)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.39
FLT1 P17948 2/20 0.38
KDR P35968 2/20 0.38
FLT3 P36888 2/20 0.38
HTR6 P50406 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
ADORA1 P30542 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
AURKA O14965 1/20 0.36
LMNA P02545 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
PLAU P00749 1/20 0.35
PREP P48147 1/20 0.35

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
SCHEMBL9534672 0.88 TMEM97 (0.40) KAT2BFLT1KDRFLT3KEAP1
SCHEMBL9533699 0.88 ADRA2A (0.47) KAT2BFLT1KDRFLT3KEAP1
SCHEMBL9536218 0.81 L3MBTL1 (0.39) KEAP1NFE2L2TMEM97SIGMAR1ADORA1
SCHEMBL9534803 0.81 KAT2B (0.40) KAT2BFLT1KDRFLT3KEAP1
SCHEMBL9534051 0.75 ADRA2A (0.51) SMN1; SMN2
SCHEMBL9534823 0.71 ADRA2A (0.51) HTR6ADORA1
SCHEMBL9534814 0.70 ADRA2A (0.42) KEAP1NFE2L2TMEM97SIGMAR1ADORA1
SCHEMBL9534228 0.70 ADRA2A (0.47) SMN1; SMN2
Hydrochloric Acid SCHEMBL9383454 0.70 KDM4E (0.41) HTR6
SCHEMBL9379818 0.67 ADRA2A (0.51) ADORA1SMN1; SMN2LMNA

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-0384676-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-11-10 EP disclosed
US-4981849-A OBESITY, DIABETES, CARDIOVASCULAR DISORDERS, DEPRESSION SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
EP-0384676-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed