SCHEMBL9599313

SCHEMBL9599313

CCc1cn2ccccc2c1S(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
GAA P10253 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 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
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL9598786 0.88 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1GAACYP1A2
SCHEMBL9599300 0.85 SMN1; SMN2 (0.40) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL9597646 0.79 ENPP1 (0.41) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL9600349 0.79 ESR1 (0.43) ALDH1A1KMT2AMEN1GAACYP1A2
Hydrochloric Acid SCHEMBL9603646 0.79 HRH3 (0.49) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL9597622 0.78 ENPP1 (0.38) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL9597826 0.76 ALK (0.41) ALDH1A1KMT2AMEN1GAACYP1A2
SCHEMBL9599082 0.76 HTT (0.42) ALDH1A1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL9599177 0.72 RAPGEF4 (0.41) ALDH1A1KMT2AMEN1GAACYP1A2
SCHEMBL8499352 0.71 DHODH (0.59) ALDH1A1KMT2AMEN1GAACYP1A2

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