SCHEMBL2591318

SCHEMBL2591318

NS(=O)(=O)ON1CCCCC1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 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
SCHEMBL7024974 0.97 CA1 (0.48) CA1CA2POLBTSHRKMT2A
SCHEMBL28772798 0.95 CA1 (0.43) CA1CA2POLBTSHRKMT2A
SCHEMBL8839162 0.84
SCHEMBL7184574 0.76 CA1 (0.39) CA1CA2POLBTSHRKMT2A
SCHEMBL5872411 0.73 CA12 (0.42) CA1CA2POLBTSHRKMT2A
SCHEMBL1684239 0.73 KDM4E (0.37) TSHR
SCHEMBL18591289 0.72 CA1 (0.36) CA1CA2POLBTSHRKMT2A
SCHEMBL795676 0.72 CA1 (0.36) CA1CA2POLBTSHRKMT2A
SCHEMBL1499965 0.72 CA2 (0.36) CA1CA2POLBTSHRKMT2A
SCHEMBL28533725 0.70 CA1 (0.35) CA1CA2POLBTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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