SCHEMBL9321885

SCHEMBL9321885

CC(C)(CCl)C(=O)Nc1ccc(O)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 12/20 0.63
PDK2 Q15119 12/20 0.63
PDK3 Q15120 12/20 0.63
PDK4 Q16654 12/20 0.63
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL10827862 0.84 PDK1 (0.70) PDK1PDK2PDK3PDK4LMNA
SCHEMBL28316139 0.80 PDK1 (0.60) PDK1PDK2PDK3PDK4LMNA
SCHEMBL618106 0.78 PDK1 (0.70) PDK1PDK2PDK3PDK4LMNA
SCHEMBL7880575 0.76 PDK1 (0.68) PDK1PDK2PDK3PDK4LMNA
SCHEMBL3323425 0.75 CA1 (0.58) PDK1PDK2PDK3PDK4LMNA
SCHEMBL5423774 0.74 PDK1 (0.57) PDK1PDK2PDK3PDK4
SCHEMBL3717777 0.73 PDK1 (0.55) PDK1PDK2PDK3PDK4LMNA
SCHEMBL6347849 0.73 PDK1 (0.65) PDK1PDK2PDK3PDK4LMNA
SCHEMBL9360380 0.73 HTT (0.55) LMNAHTTPOLBMEN1ALDH1A1
SCHEMBL14677858 0.71 POLB (0.58) PDK1PDK2PDK3PDK4POLB

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-5302742-A Process for the preparation of N-acylated p-amino-phenols BAYER AKTIENGESELLSCHAFT (DE) 1994-04-12 US disclosed