SCHEMBL4004680

SCHEMBL4004680

O=C(NC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCCCC1

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.87
EPHX2 P34913 9/20 0.77
TSHR P16473 1/20 0.66
MAPT P10636 1/20 0.65
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
RAB9A P51151 1/20 0.59
TP53 P04637 1/20 0.57

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
SCHEMBL4004673 1.00 KMT2A (0.87) KMT2AEPHX2TSHRMAPTMEN1
SCHEMBL4004803 1.00 KMT2A (0.87) KMT2AEPHX2TSHRMAPTMEN1
SCHEMBL5245634 0.94 KMT2A (0.98) KMT2AEPHX2TSHRMAPTMEN1
SCHEMBL4006595 0.88 KMT2A (0.68) KMT2AEPHX2TSHRMEN1ALDH1A1
SCHEMBL4155964 0.88 EPHX2 (0.77) KMT2AEPHX2TSHRMEN1ALDH1A1
SCHEMBL4006917 0.88 EPHX2 (0.77) KMT2AEPHX2TSHRMEN1ALDH1A1
SCHEMBL4006920 0.88 EPHX2 (0.77) KMT2AEPHX2TSHRMEN1ALDH1A1
SCHEMBL4006602 0.88 KMT2A (0.68) KMT2AEPHX2TSHRMEN1ALDH1A1
SCHEMBL4005679 0.88 EPHX2 (0.76) KMT2AEPHX2TSHRMEN1ALDH1A1
SCHEMBL4006508 0.85 EPHX2 (0.78) KMT2AEPHX2TSHRMEN1ALDH1A1

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 6 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
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