SCHEMBL9565701

SCHEMBL9565701

CC(C)(C)c1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
ALDH1A1 P00352 6/20 0.68
HPGD P15428 3/20 0.68
GAA P10253 1/20 0.68
ITGA4 P13612 5/20 0.64
ITGB7 P26010 5/20 0.64
EGFR P00533 1/20 0.60
ERBB2 P04626 1/20 0.60
IGF1R P08069 1/20 0.60
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
SIRT1 Q96EB6 1/20 0.57
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 2/20 0.55
KDM1A O60341 2/20 0.54
CTRC Q99895 1/20 0.53

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
SCHEMBL9565700 1.00 MAPT (0.68) MAPTALDH1A1HPGDGAAITGA4
SCHEMBL9129353 0.81 SIRT1 (0.57) MAPTALDH1A1HPGDGAAEGFR
SCHEMBL9129357 0.81 SIRT1 (0.57) MAPTALDH1A1HPGDGAAEGFR
SCHEMBL8539935 0.81 MAPT (0.57) MAPTALDH1A1HPGDGAAEGFR
SCHEMBL5472251 0.75 ERBB2 (1.00) MAPTALDH1A1HPGDEGFRERBB2
SCHEMBL5472252 0.75 ERBB2 (1.00) MAPTALDH1A1HPGDEGFRERBB2
SCHEMBL13045105 0.75 GAA (0.75) ALDH1A1GAAEGFRERBB2IGF1R
SCHEMBL9565715 0.74 MEN1 (0.55) MAPTALDH1A1HPGDGAAEGFR
SCHEMBL9565714 0.74 MEN1 (0.55) MAPTALDH1A1HPGDGAAEGFR
SCHEMBL9565698 0.74 EEF2K (0.52) MAPTALDH1A1GAAEGFRERBB2

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-0546661-A1 Pyrimidine derivatives, method for preparation thereof and pharmaceutical composition having said derivatives as active elements JAPAN ENERGY CORPORATION (JP) 1993-06-16 EP disclosed