SCHEMBL14879145

SCHEMBL14879145

NNO/N=C1\CCOc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NOTUM Q6P988 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSL P07711 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPY5R Q15761 1/20 0.34
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
ESR1 P03372 1/20 0.30

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
SCHEMBL14879150 0.84 KDM4E (0.36) MEN1KMT2ANOTUMALDH1A1KDM4E
SCHEMBL17146135 0.79 MEN1 (0.40) MEN1KMT2ANOTUMITGB2ICAM1
SCHEMBL13167842 0.79 MEN1 (0.40) MEN1KMT2ANOTUMITGB2ICAM1
SCHEMBL11539893 0.77 NOTUM (0.47) MEN1KMT2ANOTUMALDH1A1KDM4E
SCHEMBL11539890 0.77 NOTUM (0.47) MEN1KMT2ANOTUMALDH1A1KDM4E
SCHEMBL20457145 0.76 ITGB2 (0.43) MEN1KMT2ANOTUMITGB2ICAM1
SCHEMBL20205837 0.76 ITGB2 (0.43) MEN1KMT2ANOTUMITGB2ICAM1
SCHEMBL13130689 0.75 MEN1 (0.37) MEN1KMT2ANOTUMITGB2ICAM1
SCHEMBL14879146 0.73 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL803512 0.73 HPGD (0.47) MEN1KMT2ANOTUMITGB2ICAM1

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-2164325-B1 OXYIMINO COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-04-24 EP disclosed