SCHEMBL14625933

SCHEMBL14625933

C=CC(=O)OCCOc1ccccc1NC(=O)C(=C)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
NLRP1 Q9C000 1/20 0.41
BRD4 O60885 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MCL1 Q07820 1/20 0.38
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL9245556 0.83 THRB (0.49) THRBLMNASMN1; SMN2KMT2ATDP1
SCHEMBL12998590 0.81 MAPT (0.48) THRBLMNASMN1; SMN2KMT2ATDP1
SCHEMBL12998511 0.81 MAPT (0.48) THRBLMNASMN1; SMN2KMT2ATDP1
SCHEMBL13633270 0.80 GAA (0.43) THRBLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL14625093 0.78 THRB (0.57) THRBLMNASMN1; SMN2KMT2ATDP1
SCHEMBL15255640 0.75 LMNA (0.67) THRBLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL13696936 0.75 POLB (0.60) LMNASMN1; SMN2KMT2ATDP1ALDH1A1
SCHEMBL13707258 0.74 THRB (0.40) THRBSMN1; SMN2KMT2ATDP1ALDH1A1
SCHEMBL1828411 0.74 THRB (0.62) THRBLMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL28121765 0.74 THRB (0.62) THRBLMNASMN1; SMN2TDP1ALDH1A1

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-2007006682-A1 PHENYLAZO-ACETOACETANILIDE DERIVATIVES WITH A POLYMER! ZABLE FUNCTIONAL GROUP AND RELATED COMPOUNDS AS MONOMERS FOR PREPARING POLYMERIC PIGMENT DISPERSANTS FOR INKJET INKS AGFA GRAPHICS NV (BE) 2007-01-18 WO disclosed