SCHEMBL9156142

SCHEMBL9156142

COc1ccc(CN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
CYP3A4 P08684 2/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
OPRM1 P35372 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
BLM P54132 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAOB P27338 2/20 0.38
PDE4D Q08499 1/20 0.38

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
Fantofarone SCHEMBL77818 0.93 CYP3A4 (0.59) KDM4ECYP3A4MAPTTP53TSHR
Fantofarone SCHEMBL29802340 0.93 CYP3A4 (0.59) KDM4ECYP3A4MAPTTP53TSHR
Fantofarone SCHEMBL9599714 0.92 CYP3A4 (0.59) KDM4ECYP3A4MAPTTP53TSHR
SCHEMBL9598076 0.91 CYP3A4 (0.57) KDM4ECYP3A4MAPTTP53TSHR
SCHEMBL9157509 0.87 CYP3A4 (0.50) KDM4ECYP3A4MAPTTP53TSHR
Hydrochloric Acid SCHEMBL9655914 0.86 CYP3A4 (0.49) KDM4ECYP3A4MAPTTP53TSHR
SCHEMBL9603542 0.85 HTR6 (0.47) KDM4ECYP3A4MAPTTP53TSHR
SCHEMBL4162892 0.84 MAPT (0.44) KDM4ECYP3A4MAPTTP53TSHR
SCHEMBL6451740 0.84 MAPT (0.44) KDM4ECYP3A4MAPTTP53TSHR
SCHEMBL9215666 0.84 KDM4E (0.48) KDM4ECYP3A4MAPTTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5403933-A Chemical intermediates for cardiotonic, hypotensive, antiarrhymia and bradycadial agents; cognition activators ELF SANOFI (FR) 1995-04-04 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