SCHEMBL17865800

SCHEMBL17865800

O=C(O)c1cc(N(c2ccccc2)S(=O)(=O)Cc2ccccc2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HSP90AA1 P07900 1/20 0.47
ASPH Q12797 3/20 0.40
KDM8 Q8N371 3/20 0.40
ALKBH5 Q6P6C2 2/20 0.40
FTO Q9C0B1 2/20 0.40
KDM6B O15054 1/20 0.40
TET3 O43151 1/20 0.40
KDM4A O75164 1/20 0.40
BBOX1 O75936 1/20 0.40
MAPT P10636 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
TET2 Q6N021 1/20 0.40
KDM7A Q6ZMT4 1/20 0.40
TET1 Q8NFU7 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40

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
SCHEMBL14875882 0.87 HSP90AA1 (0.42) KDM4EALDH1A1HSP90AA1KDM5BSMN1; SMN2
SCHEMBL14882786 0.84 KDM4E (0.56) KDM4EALDH1A1HSP90AA1ASPHKDM8
SCHEMBL27966141 0.82 HSP90AA1 (0.44) KDM4EALDH1A1HSP90AA1KDM4AKDM5C
SCHEMBL3182720 0.78 HSP90AA1 (0.66) HSP90AA1SMN1; SMN2HPGDTSHRHSD17B10
SCHEMBL4431981 0.77 HSP90AA1 (0.51) ALDH1A1HSP90AA1MAPTSMN1; SMN2LMNA
SCHEMBL28097350 0.74 HSP90AA1 (0.39) KDM4EALDH1A1HSP90AA1SMN1; SMN2NAMPT
SCHEMBL14876258 0.73 NAMPT (0.44) KDM4EALDH1A1HSP90AA1ALKBH5FTO
SCHEMBL14876080 0.73 NAMPT (0.44) KDM4EALDH1A1HSP90AA1KDM5BSMN1; SMN2
SCHEMBL18135114 0.73 NAMPT (0.44) KDM4EALDH1A1HSP90AA1ALKBH5FTO
SCHEMBL14876436 0.72 KDM4E (0.62) KDM4EALDH1A1ASPHKDM8ALKBH5

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
EP-2794616-B1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed