SCHEMBL4007638

SCHEMBL4007638

O=C(NC1CCCN(S(=O)(=O)c2ccc(Oc3cccnc3)cc2)C1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
KMT2A Q03164 3/20 0.55
EPHX2 P34913 5/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL4007631 1.00 TSHR (0.61) TSHRKMT2AEPHX2LMNAMEN1
SCHEMBL4005584 0.90 TSHR (0.67) TSHRKMT2AEPHX2LMNAMEN1
SCHEMBL4005572 0.90 TSHR (0.67) TSHRKMT2AEPHX2LMNAMEN1
SCHEMBL610914 0.89 TSHR (0.59) TSHRKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL610915 0.89 TSHR (0.59) TSHRKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL4004277 0.86 ALDH1A1 (0.63) TSHRKMT2AEPHX2LMNASMN1; SMN2
SCHEMBL4004270 0.86 ALDH1A1 (0.63) TSHRKMT2AEPHX2LMNASMN1; SMN2
SCHEMBL4006092 0.81 TSHR (0.90) TSHRKMT2AEPHX2LMNAMEN1
SCHEMBL611584 0.81 ALDH1A1 (0.67) TSHRKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL4006097 0.81 TSHR (0.90) TSHRKMT2AEPHX2LMNAMEN1

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