SCHEMBL13649

SCHEMBL13649

CC(=O)NCCOc1ccccc1NC(N)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.68
MTNR1B P49286 4/20 0.68
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.59
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FOLH1 Q04609 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
BRD4 O60885 1/20 0.51
PKM P14618 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
NLRP1 Q9C000 1/20 0.51
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL13721 0.89 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL17354487 0.86 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL14850269 0.82 MTNR1A (0.57) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL13643 0.82 ALDH1A1 (0.54) MTNR1AMTNR1BALDH1A1LMNASMN1; SMN2
SCHEMBL10748359 0.81 MAPT (0.72) ALDH1A1KDM4ELMNASMN1; SMN2L3MBTL1
SCHEMBL6195294 0.81 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL6838359 0.80 KMT2A (0.68) ALDH1A1KDM4ELMNASMN1; SMN2L3MBTL1
SCHEMBL11546122 0.79 LMNA (0.75) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL18554186 0.79 KMT2A (0.62) ALDH1A1KDM4ELMNASMN1; SMN2L3MBTL1
SCHEMBL14850267 0.79 RAB9A (0.47) MTNR1AMTNR1BALDH1A1LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed