SCHEMBL9409057

SCHEMBL9409057

CCOC(=O)c1ccc(Nc2cc(C(N)=O)c(C(N)=O)cc2Nc2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
RAB9A P51151 4/20 0.57
THRB P10828 1/20 0.57
SLC2A1 P11166 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
PDPK1 O15530 1/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
HPGD P15428 2/20 0.51
RECQL P46063 1/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL9409039 0.95 SIRT2 (0.56) MEN1KMT2ARAB9ATHRBSLC2A1
SCHEMBL9409084 0.85 SIRT2 (0.73) MEN1KMT2ASIRT2CA1CA2
SCHEMBL12124929 0.81 RAB9A (0.69) MEN1KMT2ARAB9ATHRBSLC2A1
SCHEMBL9409193 0.81 CDC25B (0.60) MEN1KMT2ARAB9ATHRBLMNA
SCHEMBL9409044 0.80 MAPT (0.56) MEN1KMT2ARAB9ASIRT2LMNA
SCHEMBL9409101 0.78 MAPT (0.54) MEN1KMT2ARAB9ASIRT2LMNA
SCHEMBL8834550 0.78 EGFR (0.60) MEN1KMT2ARAB9ATHRBSLC2A1
SCHEMBL2255472 0.77 MAPK13 (0.60) MEN1KMT2ARAB9ATHRBSLC2A1
SCHEMBL9409210 0.77 SIRT2 (0.58) RAB9ATHRBSIRT2HPGDMAPT
SCHEMBL9409092 0.77 CDC25B (0.63) KMT2ARAB9ALMNAHPGDMAPT

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-0600832-A1 Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed