SCHEMBL28039663

SCHEMBL28039663

N#Cc1ccc(C(N)CO[PH](=O)OCC(N)c2ccc(C#N)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
SCN4A P35499 2/20 0.36
MMP2 P08253 3/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
MMP3 P08254 1/20 0.35
CYP19A1 P11511 3/20 0.34
HTT P42858 1/20 0.34
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL28039665 0.87 IDO1 (0.38) IDO1LOXL2SCN4AMMP2GRIA1
Hydrochloric Acid SCHEMBL7649730 0.80 LOXL2 (0.42) LOXL2SCN4ACA1CA2CA9
SCHEMBL28039650 0.77 SCN4A (0.49) IDO1SCN4AHPGD
SCHEMBL28141975 0.77 SCN4A (0.55) SCN4A
SCHEMBL28039666 0.72 ALDH1A1 (0.44) IDO1LOXL2CA1CA2CA9
SCHEMBL20446413 0.72 LOXL2 (0.35) LOXL2SCN4ACA1CA2CA9
SCHEMBL20446414 0.72 LOXL2 (0.35) LOXL2SCN4ACA1CA2CA9
SCHEMBL5900978 0.71 LOXL2 (0.43) IDO1LOXL2CA1CA2CA9
Hydrochloric Acid SCHEMBL28699275 0.71 LOXL2 (0.48) IDO1LOXL2CA1CA2CA9
SCHEMBL14980656 0.71 ANPEP (0.48) LOXL2CA1CA2CA9CA12

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
CN-106892942-B A kind of preparation method of beta-amido ethylphosphonic acid derivative 苏州大学 2019-01-04 CN disclosed
CN-105017312-A Preparation method of beta-aminoethyl phosphono derivative UNIV SOOCHOW 2015-11-04 CN disclosed