SCHEMBL4004277

SCHEMBL4004277

O=C(NC1CCCN(S(=O)(=O)c2cccnc2)C1)C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
LMNA P02545 4/20 0.60
ATM Q13315 1/20 0.60
EPHX2 P34913 1/20 0.57
KDM4E B2RXH2 2/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 1/20 0.56
TSHR P16473 3/20 0.56

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
SCHEMBL4004270 1.00 ALDH1A1 (0.63) ALDH1A1LMNAATMEPHX2KDM4E
SCHEMBL611584 0.95 ALDH1A1 (0.67) ALDH1A1LMNAATMKDM4EKMT2A
SCHEMBL4005679 0.87 EPHX2 (0.76) ALDH1A1LMNAEPHX2KMT2ASMN1; SMN2
SCHEMBL4007638 0.86 TSHR (0.61) LMNAEPHX2KMT2AHTTSMN1; SMN2
SCHEMBL4007631 0.86 TSHR (0.61) LMNAEPHX2KMT2AHTTSMN1; SMN2
SCHEMBL5950721 0.81 RAB9A (0.63) ALDH1A1LMNAATMEPHX2KMT2A
SCHEMBL4009266 0.81 RAB9A (0.63) ALDH1A1LMNAATMEPHX2KMT2A
SCHEMBL4009269 0.81 RAB9A (0.63) ALDH1A1LMNAATMEPHX2KMT2A
SCHEMBL4002522 0.81 EPHX2 (0.78) ALDH1A1LMNAEPHX2KMT2ATSHR
SCHEMBL4002528 0.81 EPHX2 (0.78) ALDH1A1LMNAEPHX2KMT2ATSHR

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