SCHEMBL11058481

SCHEMBL11058481

Cc1cccc(C)c1NC(C(=O)Cl)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 3/20 0.40
HSP90AA1 P07900 1/20 0.40
POLB P06746 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
ANPEP P15144 1/20 0.37
CXCL8 P10145 1/20 0.37
MAPK14 Q16539 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 3/20 0.36
SCN3A Q9NY46 2/20 0.36
LMNA P02545 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL11200131 0.84 LMNA (0.42) ALDH1A1L3MBTL1ATMHSP90AA1POLB
SCHEMBL11057770 0.84 LMNA (0.42) ALDH1A1L3MBTL1ATMHSP90AA1POLB
SCHEMBL11058926 0.82 CXCL8 (0.42) ALDH1A1POLBCXCL8MAPK14
SCHEMBL11059121 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1POLBKMT2ACYP2C9
SCHEMBL11195507 0.77 PYGL (0.46) ATMHSP90AA1KMT2ACXCL8MAPK14
SCHEMBL11195514 0.77 PYGL (0.46) ATMHSP90AA1KMT2ACXCL8MAPK14
SCHEMBL6264012 0.72 POLB (0.43) ALDH1A1L3MBTL1ATMHSP90AA1POLB
SCHEMBL4411484 0.72 POLB (0.43) ALDH1A1L3MBTL1ATMHSP90AA1POLB
SCHEMBL1900149 0.72 POLB (0.43) ALDH1A1L3MBTL1ATMHSP90AA1POLB
SCHEMBL4411485 0.72 POLB (0.43) ALDH1A1L3MBTL1ATMHSP90AA1POLB

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-4464307-A Substituted acid chloride process ZOECON CORPORATION (US) 1984-08-07 US disclosed