SCHEMBL4003902

SCHEMBL4003902

COc1ccc(S(=O)(=O)N2CCCC(NC(=O)C3CCCCC3)C2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.79
TSHR P16473 1/20 0.68
ALDH1A1 P00352 1/20 0.64
RAB9A P51151 2/20 0.61
LMNA P02545 2/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.60
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
NPC1 O15118 2/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL4003895 1.00 EPHX2 (0.79) EPHX2TSHRALDH1A1RAB9ALMNA
SCHEMBL612254 0.87 EPHX2 (0.68) EPHX2TSHRALDH1A1RAB9ALMNA
SCHEMBL4963147 0.87 EPHX2 (0.68) EPHX2TSHRALDH1A1RAB9ALMNA
SCHEMBL612253 0.87 EPHX2 (0.68) EPHX2TSHRALDH1A1RAB9ALMNA
SCHEMBL4006092 0.86 TSHR (0.90) EPHX2TSHRALDH1A1RAB9ALMNA
SCHEMBL4006097 0.86 TSHR (0.90) EPHX2TSHRALDH1A1RAB9ALMNA
SCHEMBL4007567 0.85 TSHR (0.70) EPHX2TSHRRAB9AKMT2AMEN1
SCHEMBL4004305 0.85 KMT2A (0.80) EPHX2TSHRLMNAPOLBSMN1; SMN2
SCHEMBL4007562 0.85 TSHR (0.70) EPHX2TSHRRAB9AKMT2AMEN1
SCHEMBL4004312 0.85 KMT2A (0.80) EPHX2TSHRLMNAPOLBSMN1; 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 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