SCHEMBL27634846

SCHEMBL27634846

NCC(Cc1ccccc1)(Cc1ccccc1)OC(=O)c1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MGAM O43451 1/20 0.48
MAPT P10636 7/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
CNR2 P34972 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL8403275 0.74 MAPT (0.79) KMT2AL3MBTL1MEN1KDM4ESMN1; SMN2
SCHEMBL4304080 0.73 SMN1; SMN2 (0.57) KMT2AL3MBTL1MEN1KDM4ESMN1; SMN2
SCHEMBL4312684 0.73 MGAM (0.56) KMT2AL3MBTL1MEN1KDM4ESMN1; SMN2
SCHEMBL237343 0.71 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TSHR
SCHEMBL28869279 0.71 MAPT (0.55) KMT2AL3MBTL1MEN1KDM4ESMN1; SMN2
SCHEMBL3954441 0.70 MGAM (0.66) KMT2AL3MBTL1MEN1KDM4ESMN1; SMN2
SCHEMBL6955948 0.69 MGAM (0.63) KMT2AL3MBTL1MEN1KDM4ESMN1; SMN2
SCHEMBL5176927 0.69 MGAM (0.63) KMT2AL3MBTL1MEN1KDM4ESMN1; SMN2
SCHEMBL10635595 0.68 MGAM (0.58) KMT2AL3MBTL1MEN1KDM4ESMN1; SMN2
SCHEMBL5974972 0.68 MGAM (0.62) KMT2AL3MBTL1MEN1KDM4ESMN1; SMN2

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-1849328-A Novel 14 and 15 membered-ring compounds GLAXO GROUP LTD (GB) 2006-10-18 CN disclosed
CN-1820017-A Macrolides substituted at the 4 \"position GLAXO GROUP LTD (GB) 2006-08-16 CN disclosed