SCHEMBL4010849

SCHEMBL4010849

O=C(NC1CCCN(S(=O)(=O)c2cnccc2Oc2ccccc2)C1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
TSHR P16473 3/20 0.48
EPHX2 P34913 5/20 0.47
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4010845 1.00 HSD11B1 (0.49) HSD11B1TSHREPHX2KMT2ANPC1
SCHEMBL10123253 0.95 HSD11B1 (0.55) HSD11B1TSHREPHX2KMT2AMEN1
Trifluoroacetic Acid SCHEMBL27664845 0.91 HSD11B1 (0.50) HSD11B1TSHREPHX2KMT2AMEN1
Trifluoroacetic Acid SCHEMBL612344 0.91 HSD11B1 (0.50) HSD11B1TSHREPHX2KMT2AMEN1
SCHEMBL4009624 0.89 HSD11B1 (0.56) HSD11B1TSHREPHX2KMT2ANPC1
SCHEMBL4009615 0.89 HSD11B1 (0.56) HSD11B1TSHREPHX2KMT2ANPC1
SCHEMBL27684790 0.84 HSD11B1 (0.63) HSD11B1TSHREPHX2KMT2AMEN1
SCHEMBL612865 0.84 HSD11B1 (0.63) HSD11B1TSHREPHX2KMT2AMEN1
SCHEMBL4007631 0.81 TSHR (0.61) TSHREPHX2KMT2AMEN1SMN1; SMN2
SCHEMBL4007638 0.81 TSHR (0.61) TSHREPHX2KMT2AMEN1SMN1; SMN2

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