SCHEMBL9599545

SCHEMBL9599545

CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCNC(C)c2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.35
HRH3 Q9Y5N1 7/20 0.33
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGAV P06756 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGB6 P18564 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SCN1A P35498 1/20 0.31
SCN5A Q14524 1/20 0.31

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
Hydrochloric Acid SCHEMBL9597718 0.88 SCN8A (0.40) SCN8AHRH3ALDH1A1HTTSMN1; SMN2
SCHEMBL9599549 0.84 RAB9A (0.38) HRH3ALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL8236467 0.83 POLB (0.39) HRH3ALDH1A1HTTTP53TSHR
SCHEMBL4171578 0.81 HRH3 (0.37) HRH3ALDH1A1HTTTP53TSHR
Hydrochloric Acid SCHEMBL9599341 0.80 HRH3 (0.47) HRH3KMT2AKDM4E
SCHEMBL8940978 0.80 HRH3 (0.37) HRH3ALDH1A1HTTTP53TSHR
Hydrochloric Acid SCHEMBL9597712 0.80 MEN1 (0.45) HRH3SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL9598438 0.80 CACNA1B (0.43) HRH3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9599537 0.79 PPARG (0.39) HRH3ALDH1A1HTTTP53TSHR
SCHEMBL4169496 0.79 KDM4E (0.45) HRH3ALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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