SCHEMBL9599537

SCHEMBL9599537

CCN(CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRB2 P07550 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
SCHEMBL9598570 0.86 HRH3 (0.42) SMN1; SMN2ALDH1A1HRH3TP53TSHR
SCHEMBL9598438 0.84 CACNA1B (0.43) SMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL8229020 0.83 HRH3 (0.51) HRH3
SCHEMBL8234726 0.83 HRH3 (0.46) SMN1; SMN2ALDH1A1HRH3KDM4EPKM
SCHEMBL4171578 0.82 HRH3 (0.37) SMN1; SMN2ALDH1A1HRH3TP53TSHR
SCHEMBL8237539 0.81 HRH3 (0.49) SMN1; SMN2ALDH1A1HRH3KDM4EPKM
SCHEMBL8234535 0.81 HRH3 (0.49) SMN1; SMN2ALDH1A1HRH3KDM4EPKM
Hydrochloric Acid SCHEMBL9656222 0.81 HRH3 (0.49) HRH3
SCHEMBL8940978 0.81 HRH3 (0.37) SMN1; SMN2ALDH1A1HRH3TP53TSHR
SCHEMBL9656112 0.81 HRH3 (0.48) SMN1; SMN2ALDH1A1HRH3TP53TSHR

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