SCHEMBL2591217

SCHEMBL2591217

NS(=O)(=O)Oc1nccs1.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
NOS1 P29475 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA2 P00918 10/20 0.37
CA9 Q16790 9/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 8/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
EDNRA P25101 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACP1 P24666 2/20 0.32
SCN9A Q15858 1/20 0.32
FBP1 P09467 1/20 0.31
PDK1 Q15118 1/20 0.31

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
SCHEMBL3165386 0.98 ALDH1A1 (0.39) ALDH1A1TSHRNOS1HSD17B10CA2
SCHEMBL27809409 0.81 ALDH1A1 (0.37) ALDH1A1TSHRNOS1HSD17B10KDM4E
SCHEMBL5173136 0.78 ALDH1A1 (0.36) ALDH1A1TSHRNOS1HSD17B10CA2
SCHEMBL28617469 0.76 ALDH1A1 (0.34) ALDH1A1TSHRNOS1HSD17B10KDM4E
SCHEMBL27681940 0.74 CA12 (0.39) ALDH1A1TSHRNOS1HSD17B10CA2
Guanidine SCHEMBL27799914 0.74 ACP1 (0.35) ALDH1A1TSHRNOS1HSD17B10KDM4E
SCHEMBL28170599 0.72 SCN9A (0.32) ALDH1A1TSHRNOS1HSD17B10SCN9A
Benzenesulfonamide SCHEMBL28080436 0.71 CA12 (0.46) ALDH1A1HSD17B10CA2CA9CA12
SCHEMBL28372998 0.71 METAP2 (0.45) ALDH1A1HSD17B10CA2CA12KDM4E
SCHEMBL30999657 0.71 METAP2 (0.45) ALDH1A1HSD17B10CA2CA12KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104312338-A Environment-friendly wall materials and preparing method and application of environment-friendly wall materials BEIJING HUANQIU NEW ENERGY SCIENCE & TECHNOLOGY DEV CO LTD 2015-01-28 CN 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
US-8383183-B2 Sweetness enhancers, sweetness enhanced sweetener compositions, methods for their formulation, and uses THE COCA-COLA COMPANY (US) 2013-02-26 US disclosed
US-20110318464-A1 SWEETNESS ENHANCERS, SWEETNESS ENHANCED SWEETENER COMPOSITIONS, METHODS FOR THEIR FORMULATION, AND USES THE COCA-COLA COMPANY (US) 2011-12-29 US disclosed
WO-2011138456-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed
WO-2011138455-A1 METHODS TO IDENTIFY MODULATORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed