SCHEMBL9302896

SCHEMBL9302896

CN(C(=O)c1cc(=O)[nH]c2ccc(O)cc12)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.46
PDK2 Q15119 2/20 0.46
PDK1 Q15118 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
GAA P10253 6/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 2/20 0.40
MAPT P10636 1/20 0.40
AR P10275 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP6 P55212 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL9302285 0.92 PTGS2 (0.47) HSP90AA1PDK2PDK1PDK3PDK4
SCHEMBL9184851 0.77 KDM5A (0.45) HSP90AA1PDK2PDK1PDK3PDK4
SCHEMBL28982768 0.76 KDM4E (0.63) GAAALDH1A1KDM4EHPGDGLA
SCHEMBL11097088 0.71 GAA (0.73) GAAALDH1A1KDM4EHPGDGLA
SCHEMBL9182334 0.70 KMT2A (0.48) GAAALDH1A1KDM4EHPGDPOLB
SCHEMBL2054592 0.69 KIF11 (0.44) GAAALDH1A1KDM4EHPGDPOLB
SCHEMBL9182411 0.67 KDM4E (0.52) GAAALDH1A1KDM4EPOLBTDP1
SCHEMBL12550506 0.66 HSP90AA1 (0.47) HSP90AA1PDK2PDK1PDK3PDK4
SCHEMBL2272356 0.66 AR (0.62) GAAALDH1A1KDM4EHPGDPKM
SCHEMBL6802143 0.65 HSP90AA1 (0.60) HSP90AA1PDK2PDK1PDK3PDK4

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
US-5310913-A Immunomodulators KABI PHARMACIA AKTIEBOLAG (SE) 1994-05-10 US claimed