SCHEMBL16808256

SCHEMBL16808256

CN/C(=N/C(=O)OC(C)(C)C)c1ccc(OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.59
KDM1A O60341 1/20 0.45
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA2 P00918 1/20 0.34
PLK1 P53350 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPKAPK2 P49137 2/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL7975312 0.82 MAPT (0.47) ELANEHPGDTSHRSMN1; SMN2CA2
SCHEMBL7975315 0.82 MAPT (0.47) ELANEHPGDTSHRSMN1; SMN2CA2
SCHEMBL16808280 0.82 MIF (0.42) ELANEHPGDTSHRHTTCA2
SCHEMBL20361561 0.82 ELANE (0.51) ELANEKDM1AHPGDCA2MEN1
SCHEMBL7985674 0.78 MAPT (0.31) ELANEMAPT
SCHEMBL7985676 0.78 MAPT (0.31) ELANEMAPT
SCHEMBL16808302 0.78 L3MBTL1 (0.42) TSHRHTTCA2PLK1MAPT
SCHEMBL7986483 0.77 CA1 (0.46) HPGDTSHRHTTSMN1; SMN2CA2
SCHEMBL7986484 0.77 CA1 (0.46) HPGDTSHRHTTSMN1; SMN2CA2
SCHEMBL4061370 0.76 ELANE (0.81) ELANEKDM1ACA2MEN1KMT2A

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-2015087857-A1 ARYL AMIDINE COMPOUND AND BACTERICIDAL AGENT 日本曹達株式会社 2015-06-18 WO disclosed