SCHEMBL2016630

SCHEMBL2016630

CCOC(=O)c1cc(I)c(O)nc1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.51
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 3/20 0.49
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL2301745 0.81 KDM4E (0.77) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL4739612 0.81 KDM4E (0.55) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL2929292 0.81 KDM4E (0.55) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL6918814 0.77 TSHR (0.46) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL16616673 0.77 KDM4E (0.72) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL18106131 0.77 KDM4E (0.48) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL27904206 0.75 KDM4E (0.56) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL16387742 0.75 KDM4E (0.64) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL11470029 0.75 KDM4E (0.69) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL30531237 0.75 KDM4E (0.69) KDM4EALDH1A1ALOX15TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed