SCHEMBL8280865

SCHEMBL8280865

CN1CCC[C@H](NS(=O)(=O)CS(C)(=O)=O)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 13/20 0.35
BPTF Q12830 1/20 0.35
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
FABP6 P51161 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL8280859 0.85 KAT2B (0.38) KAT2BBPTFSMN1; SMN2
SCHEMBL2743217 0.81 EPHX2 (0.43) KAT2BBPTFEPHX2ALDH1A1
SCHEMBL24314234 0.81 EPHX2 (0.43) KAT2BBPTFEPHX2ALDH1A1
SCHEMBL8280863 0.81 EPHX2 (0.43) KAT2BBPTFEPHX2ALDH1A1
SCHEMBL12227439 0.80 EPHX2 (0.34) EPHX2ALDH1A1FABP6
SCHEMBL12852528 0.78 PSEN1 (0.39) KAT2BBPTF
SCHEMBL18912347 0.76 CA1 (0.53) KAT2BBPTF
SCHEMBL26727078 0.75 KAT2B (0.38) KAT2BBPTFALDH1A1
SCHEMBL8280860 0.74 NAMPT (0.38) KAT2B
SCHEMBL16078083 0.70 PSEN1 (0.38) KAT2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005080389-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-09-01 WO disclosed