SCHEMBL9603542

SCHEMBL9603542

COc1ccc(CNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 3/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL6451740 0.93 MAPT (0.44) HTR6KDM4ETP53CYP3A4MAPT
SCHEMBL4162892 0.93 MAPT (0.44) HTR6MEN1KMT2AKDM4ETP53
SCHEMBL4173606 0.92 HTR6 (0.39) HTR6NPSR1
Hydrochloric Acid SCHEMBL9599341 0.87 HRH3 (0.47) HTR6KMT2AKDM4ECA12CA1
SCHEMBL8239232 0.87 NPSR1 (0.42) HTR6MEN1KMT2AKDM4ETP53
SCHEMBL13940140 0.86 KMT2A (0.39) HTR6MEN1KMT2AKDM4ETP53
Hydrochloric Acid SCHEMBL9598758 0.86 NPSR1 (0.41) HTR6MEN1KMT2AKDM4ETP53
SCHEMBL9156142 0.85 KDM4E (0.51) MEN1KMT2AKDM4ETP53CYP3A4
Fantofarone SCHEMBL77818 0.84 CYP3A4 (0.59) KMT2AKDM4ETP53CYP3A4MAPT
Fantofarone SCHEMBL29802340 0.84 CYP3A4 (0.59) KMT2AKDM4ETP53CYP3A4MAPT

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