SCHEMBL4003472

SCHEMBL4003472

O=C(NC1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
EPHX2 P34913 13/20 0.55
KMT2A Q03164 1/20 0.53
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRM1 P11229 1/20 0.47

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
SCHEMBL4003466 1.00 HSD11B1 (0.56) HSD11B1EPHX2KMT2ATSHRPOLB
SCHEMBL4009615 0.85 HSD11B1 (0.56) HSD11B1EPHX2KMT2ATSHRPOLB
SCHEMBL4009624 0.85 HSD11B1 (0.56) HSD11B1EPHX2KMT2ATSHRPOLB
SCHEMBL4006942 0.85 EPHX2 (0.60) HSD11B1EPHX2KMT2A
SCHEMBL4006937 0.85 EPHX2 (0.60) HSD11B1EPHX2KMT2A
SCHEMBL4143730 0.83 EPHX2 (0.78) HSD11B1EPHX2KMT2ATSHRPOLB
SCHEMBL4145741 0.82 HSD11B1 (0.72) HSD11B1EPHX2KMT2ATSHRPOLB
SCHEMBL4287004 0.82 EPHX2 (0.79) EPHX2KMT2ATSHRSMN1; SMN2
SCHEMBL4439394 0.81 EPHX2 (0.78) HSD11B1EPHX2KMT2ATSHR
SCHEMBL4290150 0.81 EPHX2 (0.78) HSD11B1EPHX2KMT2ATSHRPOLB

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 disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed