SCHEMBL5157536

SCHEMBL5157536

Cc1ccc(Nc2ncccc2S(=O)(=O)NC(=O)NC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 2/20 0.52
AHR P35869 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP3A4 P08684 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.42
P2RY1 P47900 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL29433655 0.88 TBXA2R (0.66) TBXA2RNPC1MAPTMEN1KMT2A
SCHEMBL7261849 0.77 TBXA2R (0.77) TBXA2RMAPTKDM4ECYP2C9CYP3A4
SCHEMBL28827564 0.74 TBXA2R (0.45) TBXA2RNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7256296 0.74 NPSR1 (0.64) NPC1RAB9ASMN1; SMN2MAPTAHR
SCHEMBL19002605 0.71 GAA (0.63) RAB9AMAPTKMT2AKDM4ECYP2C9
SCHEMBL28824955 0.69 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTAHR
SCHEMBL29898269 0.69 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTAHR
SCHEMBL10460903 0.69 TBXA2R (0.62) TBXA2RMAPTKDM4ECYP2C9CYP3A4
SCHEMBL10460997 0.68 TBXA2R (0.61) TBXA2RMAPTKDM4ECYP2C9CYP3A4
SCHEMBL10462906 0.68 TBXA2R (0.60) TBXA2RKDM4ECYP2C9CYP3A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507524-B1 TOPICAL USE OF DIURETICS FOR TREATING SWELLINGS WANK RUDOLF (DE) 2007-01-10 EP disclosed
US-20050234107-A1 Use of diuretics for treating swellings WANK RUDOLF 2005-10-20 US disclosed
EP-1507524-A1 USE OF DIURETICS FOR TREATING SWELLINGS Wank, Rudolf (DE) 2005-02-23 EP disclosed
WO-2003099271-A1 USE OF DIURETICS FOR TREATING SWELLINGS WANK RUDOLF (DE) 2003-12-04 WO disclosed