SCHEMBL9598136

SCHEMBL9598136

Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)c3c(C(C)(C)C)cn4ccccc34)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
ENPP2 Q13822 1/20 0.37
VDR P11473 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
MAPT P10636 2/20 0.35
PPARG P37231 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL9599082 0.86 HTT (0.42) SMN1; SMN2HTTENPP2VDRLMNA
SCHEMBL9599300 0.84 SMN1; SMN2 (0.40) SMN1; SMN2HTTENPP2VDRLMNA
SCHEMBL4157574 0.83 ENPP2 (0.39) SMN1; SMN2HTTENPP2VDRLMNA
SCHEMBL9599413 0.83 L3MBTL1 (0.42) SMN1; SMN2HTTENPP2VDRLMNA
SCHEMBL9597646 0.81 ENPP1 (0.41) SMN1; SMN2HTTENPP2VDRLMNA
SCHEMBL8652435 0.79 SMN1; SMN2 (0.43) SMN1; SMN2HTTENPP2VDRLMNA
SCHEMBL9597622 0.79 ENPP1 (0.38) SMN1; SMN2HTTENPP2LMNAALDH1A1
SCHEMBL9598810 0.79 ENPP3 (0.44) SMN1; SMN2HTTENPP2LMNAALDH1A1
SCHEMBL9598567 0.76 HRH3 (0.51)
SCHEMBL9598786 0.71 ALDH1A1 (0.36) SMN1; SMN2HTTVDRLMNAALDH1A1

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