SCHEMBL4010700

SCHEMBL4010700

O=C(NC1CCCN(S(=O)(=O)c2ccccc2)C1)C1CCC(O)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.65
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.54
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
USP2 O75604 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL4010698 1.00 EPHX2 (0.65) EPHX2KMT2AALDH1A1MEN1TSHR
SCHEMBL4005679 0.91 EPHX2 (0.76) EPHX2KMT2AALDH1A1MEN1TSHR
SCHEMBL610201 0.89 TDP1 (0.67) EPHX2KMT2AALDH1A1MEN1TSHR
SCHEMBL610202 0.89 TDP1 (0.67) EPHX2KMT2AALDH1A1MEN1TSHR
SCHEMBL611212 0.89 TDP1 (0.67) EPHX2KMT2AALDH1A1MEN1TSHR
SCHEMBL612184 0.89 TDP1 (0.67) EPHX2KMT2AALDH1A1MEN1TSHR
SCHEMBL4002852 0.87 EPHX2 (0.60) EPHX2KMT2AALDH1A1MEN1TSHR
SCHEMBL4002862 0.87 EPHX2 (0.60) EPHX2KMT2AALDH1A1MEN1TSHR
SCHEMBL611344 0.85 KMT2A (0.78) EPHX2KMT2AALDH1A1MEN1TSHR
SCHEMBL612912 0.85 KMT2A (0.78) EPHX2KMT2AALDH1A1MEN1TSHR

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