SCHEMBL623889

SCHEMBL623889

[CH2]C(C)(C)COc1cccc(NS(N)(=O)=O)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.36
SLC22A12 Q96S37 2/20 0.35
MRGPRX1 Q96LB2 5/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
KIF11 P52732 1/20 0.32
PTGES2 Q9H7Z7 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PDE10A Q9Y233 2/20 0.31
CTSS P25774 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
SCHEMBL2420706 0.90 BRAF (0.37) BRAFSLC22A12MRGPRX1CA1CA2
SCHEMBL16479655 0.85 SSTR4 (0.36) BRAFSLC22A12MRGPRX1PTGES2NPC1
SCHEMBL2413234 0.83 PTGES2 (0.42) BRAFCA1CA2PTGES2
SCHEMBL618976 0.83 SSTR4 (0.39) BRAFSLC22A12MRGPRX1PDE10A
SCHEMBL15972868 0.83 BRAF (0.37) BRAFMRGPRX1NPC1RAB9A
SCHEMBL2415372 0.82 MRGPRX1 (0.34) BRAFSLC22A12MRGPRX1NPC1RAB9A
SCHEMBL12219979 0.81 SSTR4 (0.38) BRAFMRGPRX1NPC1RAB9A
SCHEMBL15990258 0.81 AAK1 (0.37) BRAFMRGPRX1CA1CA2
SCHEMBL618909 0.81 BRAF (0.41) BRAFMRGPRX1CA1CA2PTGES2
SCHEMBL17363082 0.80 MRGPRX1 (0.33) BRAFSLC22A12MRGPRX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603098-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER Senomyx, Inc. (US) 2013-06-19 EP disclosed
WO-2012021837-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 WO disclosed