SCHEMBL2590804

SCHEMBL2590804

Cc1cc(C)nc(NS(=O)(=O)O)n1.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 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
SCHEMBL12038996 0.98 TSHR (0.55) TSHRGAAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL27182855 0.84 TSHR (0.61) TSHRGAAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2914660 0.78 TSHR (0.56) TSHRGAAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7262519 0.78 LMNA (0.67) TSHRGAAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL27182770 0.77 NPSR1 (0.59) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL2590807 0.75 GAA (0.54) TSHRGAAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL31011107 0.75 TSHR (0.58) TSHRGAAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL27182740 0.75 S1PR2 (0.36) TSHRKMT2AMEN1
SCHEMBL27182844 0.75 NOS3 (0.52) TSHRGAAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL13595456 0.73 TSHR (0.51) TSHRGAAALDH1A1CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073025-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2024-04-04 WO disclosed
EP-4344552-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2024-04-03 EP disclosed
US-20130123135-A1 Methods To Identify Modulators of TAS2R48 Receptors GIVAUDAN SA (CH) 2013-05-16 US disclosed
US-20130115624-A1 Methods To Identify Modulators GIVAUDAN S.A. (CH) 2013-05-09 US disclosed
EP-2567231-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS Givaudan SA (CH) 2013-03-13 EP disclosed
EP-2567229-A1 METHODS TO IDENTIFY MODULATORS Givaudan SA (CH) 2013-03-13 EP disclosed
WO-2011138455-A1 METHODS TO IDENTIFY MODULATORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed
WO-2011138456-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed