SCHEMBL6863951

SCHEMBL6863951

O=C(CC1CCN(C(=O)C2CCCCC2)CC1)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.54
TGM2 P21980 2/20 0.48
F13A1 P00488 1/20 0.48
TGM1 P22735 1/20 0.48
PTPN1 P18031 1/20 0.48
CNR1 P21554 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
NAMPT P43490 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL6863673 0.86 EPHX2 (0.44) EPHX2KMT2ANPC1RAB9AMEN1
SCHEMBL12004620 0.86 EPHX2 (0.44) EPHX2KMT2ANPC1RAB9AMEN1
SCHEMBL12004619 0.86 EPHX2 (0.44) EPHX2KMT2ANPC1RAB9AMEN1
SCHEMBL2320339 0.73 EPHX2 (0.56) EPHX2PTPN1ALDH1A1HPGDKMT2A
SCHEMBL31315635 0.70 EPHX2 (1.00) EPHX2
SCHEMBL18980903 0.70 EPHX2 (1.00) EPHX2
SCHEMBL12005312 0.70 USP30 (0.59) EPHX2KMT2ANPC1RAB9ANAMPT
SCHEMBL6863459 0.70 USP30 (0.59) EPHX2KMT2ANPC1RAB9ANAMPT
SCHEMBL12005313 0.70 USP30 (0.59) EPHX2KMT2ANPC1RAB9ANAMPT
SCHEMBL19000801 0.70 EPHX2 (0.69) EPHX2ALDH1A1KMT2ANPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011032291-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD . (CA) 2011-03-24 WO disclosed