SCHEMBL6183591

SCHEMBL6183591

COc1ccc(C(NS(=O)(=O)c2ncccc2C)C(=O)O)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRNA7 P36544 1/20 0.38
MEN1 O00255 5/20 0.36
USP2 O75604 1/20 0.36
KCNK3 O14649 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ADRB3 P13945 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
OXTR P30559 2/20 0.34
FFAR1 O14842 1/20 0.34
KDM4E B2RXH2 1/20 0.34
AVPR2 P30518 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1035908 0.74 KDM4E (0.56) KMT2APOLBALDH1A1MEN1USP2
SCHEMBL1696116 0.71 KMT2A (0.53) KMT2APOLBALDH1A1CHRNA7MEN1
SCHEMBL16476684 0.71 KMT2A (0.53) KMT2APOLBALDH1A1CHRNA7MEN1
SCHEMBL6183600 0.68 OXTR (0.37) KMT2AMEN1TRPM8OXTRAVPR2
SCHEMBL1036882 0.68 HCRTR1 (0.53) OXTRAVPR2
SCHEMBL3550308 0.67 KMT2A (0.52) KMT2APOLBALDH1A1CHRNA7MEN1
SCHEMBL1696129 0.66 KMT2A (0.46) KMT2APOLBALDH1A1CHRNA7MEN1
SCHEMBL16476747 0.66 KMT2A (0.46) KMT2APOLBALDH1A1CHRNA7MEN1
SCHEMBL6069865 0.66 PTGS2 (0.49) KMT2APOLBALDH1A1CHRNA7MEN1
SCHEMBL6069855 0.66 PTGS2 (0.49) KMT2APOLBALDH1A1CHRNA7MEN1

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-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO disclosed