SCHEMBL4004308

SCHEMBL4004308

COc1ccc(OC)c(S(=O)(=O)[C@@]2(NC(=O)C3CCCCC3)CCCNC2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
NPC1 O15118 1/20 0.48
ADORA3 P0DMS8 1/20 0.42
STS P08842 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL4006094 0.86 EPHX2 (0.47) ALDH1A1TSHR
SCHEMBL4003899 0.85 EPHX2 (0.49) KMT2AMEN1ALDH1A1TSHR
SCHEMBL4007565 0.85 POLB (0.45) KMT2AMEN1ALDH1A1
SCHEMBL4009618 0.79 PKM (0.40) NPC1
SCHEMBL4005131 0.78 EPHX2 (0.47) KMT2AMEN1ALDH1A1
SCHEMBL4006918 0.77 ALDH1A1 (0.45) KMT2AADORA3ALDH1A1TSHR
SCHEMBL4010821 0.77 KMT2A (0.37) KMT2AMEN1NPC1ALDH1A1
SCHEMBL4010678 0.77 HSD11B1 (0.45) TSHR
SCHEMBL4003470 0.76 CTSS (0.39)
SCHEMBL4001738 0.76 EPHX2 (0.47) KMT2AMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed