SCHEMBL4010826

SCHEMBL4010826

O=C(NC1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)C1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 1/20 0.73
AKR1C3 P42330 4/20 0.67
TSHR P16473 2/20 0.61
RAB9A P51151 1/20 0.60
KMT2A Q03164 2/20 0.60
EPHX2 P34913 5/20 0.57
AKR1C1 Q04828 1/20 0.57
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MCOLN3 Q8TDD5 2/20 0.55
TPSAB1 Q15661 1/20 0.55

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
SCHEMBL4010822 1.00 EIF2AK3 (0.73) EIF2AK3AKR1C3TSHRRAB9AKMT2A
SCHEMBL5244699 0.95 EIF2AK3 (0.74) EIF2AK3AKR1C3TSHRRAB9AKMT2A
SCHEMBL4005679 0.87 EPHX2 (0.76) TSHRKMT2AEPHX2MEN1GAA
SCHEMBL610187 0.86 EIF2AK3 (0.72) EIF2AK3AKR1C3TSHRRAB9AKMT2A
SCHEMBL610186 0.86 EIF2AK3 (0.72) EIF2AK3AKR1C3TSHRRAB9AKMT2A
SCHEMBL4307015 0.84 RAB9A (0.74) TSHRRAB9AKMT2AEPHX2MEN1
SCHEMBL4307011 0.84 RAB9A (0.74) TSHRRAB9AKMT2AEPHX2MEN1
SCHEMBL4005216 0.84 EPHX2 (0.59) EIF2AK3TSHRRAB9AKMT2AEPHX2
SCHEMBL4005207 0.84 EPHX2 (0.59) EIF2AK3TSHRRAB9AKMT2AEPHX2
SCHEMBL5950721 0.83 RAB9A (0.63) TSHRRAB9AKMT2AEPHX2MEN1

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