SCHEMBL10691487

SCHEMBL10691487

CC(=O)CC(=O)Nc1c(C)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
SCN3A Q9NY46 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
SCN1A P35498 2/20 0.51
SCN2A Q99250 2/20 0.51
GAA P10253 2/20 0.51
ALOX15 P16050 1/20 0.51
LMNA P02545 4/20 0.50
BLM P54132 2/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 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
SCHEMBL10692014 0.88 MAPT (0.64) MEN1KMT2AMAPTSCN3ACYP1A2
SCHEMBL5528418 0.85 ALDH1A1 (0.66) PDK1PDK2PDK3PDK4MEN1
SCHEMBL14416597 0.85 TSHR (0.61) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2921682 0.82 PDK1 (0.58) PDK1PDK2PDK3PDK4GAA
SCHEMBL11190523 0.82 HDAC3 (0.54) PDK1PDK2PDK3PDK4MEN1
SCHEMBL17029100 0.82 HDAC3 (0.54) PDK1PDK2PDK3PDK4MEN1
SCHEMBL7828426 0.81 KDM4E (0.59) PDK1PDK2PDK3PDK4MEN1
SCHEMBL11613018 0.81 L3MBTL1 (0.64) PDK1PDK2PDK3PDK4MEN1
SCHEMBL13549911 0.81 PDK1 (0.50) PDK1PDK2PDK3PDK4MEN1
SCHEMBL11402399 0.80 PDK1 (0.59) PDK1PDK2PDK3PDK4KMT2A

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-4730061-A PLANT GROWTH REGULATORS DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1988-03-08 US disclosed