SCHEMBL8940978

SCHEMBL8940978

CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCCBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.37
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.33
PKM P14618 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 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
SCHEMBL4171578 0.97 HRH3 (0.37) HRH3TSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL9656112 0.87 HRH3 (0.48) HRH3TSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL9598570 0.87 HRH3 (0.42) HRH3TSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL9598438 0.87 CACNA1B (0.43) HRH3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8229020 0.86 HRH3 (0.51) HRH3
SCHEMBL8234726 0.86 HRH3 (0.46) HRH3ALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL9600920 0.86 HRH3 (0.41) HRH3TSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL8237539 0.84 HRH3 (0.49) HRH3ALDH1A1SMN1; SMN2NPC1PKM
Hydrochloric Acid SCHEMBL9656222 0.84 HRH3 (0.49) HRH3
SCHEMBL8234535 0.84 HRH3 (0.49) HRH3ALDH1A1SMN1; SMN2NPC1PKM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565470-A HYPOTENSIVE OR ANTIARRHYTHMIA AGENTS, ALSO FOR TREATMENT OF ANGINA OR GLAUCOMA SANOFI (FR) 1996-10-15 US disclosed
US-5340820-A Useful for treatment of ocular diseases, angina pectoris, hypertension and arrhythmia ELF SANOFI (FR) 1994-08-23 US disclosed
US-5182291-A Angina pectoris, hypotensive, antiarrhythmia, cerebral vascular insufficiency SANOFI (FR) 1993-01-26 US disclosed
US-5147878-A Hypotensive, antiarrhythmia agents SANOFI (FR) 1992-09-15 US disclosed
US-5039700-A Cardiovascular disorders, antitumor agents SANOFI (FR) 1991-08-13 US disclosed
US-5017579-A Use of aminoalkoxyphenyl derivatives for reducing and/or controlling excessive intraocular pressure SANOFI (FR) 1991-05-21 US disclosed
US-4957925-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS, TREATMENT OF ANGINA SANOFI (FR) 1990-09-18 US disclosed