SCHEMBL9598786

SCHEMBL9598786

CCc1cn2ccccc2c1S(=O)(=O)c1cc(C)c(OS(=O)(=O)c2ccc(C)cc2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
RAPGEF4 Q8WZA2 2/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ALK Q9UM73 1/20 0.34
VDR P11473 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
APLNR P35414 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL9599313 0.88 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9599300 0.86 SMN1; SMN2 (0.40) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9597646 0.80 ENPP1 (0.41) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9597826 0.79 ALK (0.41) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9597622 0.78 ENPP1 (0.38) ALDH1A1MEN1KMT2AGAAMAPT
Hydrochloric Acid SCHEMBL9597614 0.77 HRH3 (0.43)
SCHEMBL9599082 0.77 HTT (0.42) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9599177 0.73 RAPGEF4 (0.41) ALDH1A1MEN1KMT2AGAAKDM4E
Hydrochloric Acid SCHEMBL9603646 0.71 HRH3 (0.49) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4157574 0.71 ENPP2 (0.39) ALDH1A1MEN1KMT2AGAAMAPT

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