SCHEMBL13064243

SCHEMBL13064243

CC(C)(CNCC(=O)O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.42
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 3/20 0.40
CLK1 P49759 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
NFE2 Q16621 1/20 0.39
TSHR P16473 1/20 0.39
P4HB P07237 1/20 0.39
PKM P14618 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
SCHEMBL9612020 0.91 ALDH1A1 (0.45) ALDH1A1APOBEC3AAPOBEC3GGAALMNA
SCHEMBL9612064 0.90 ALDH1A1 (0.46) ALDH1A1APOBEC3AAPOBEC3GGAALMNA
SCHEMBL861071 0.87 ALDH1A1 (0.41) ALDH1A1APOBEC3AAPOBEC3GGAALMNA
SCHEMBL9612036 0.87 ALDH1A1 (0.47) ALDH1A1APOBEC3AAPOBEC3GGAALMNA
SCHEMBL9912406 0.83 ALDH1A1 (0.43) ALDH1A1APOBEC3AAPOBEC3GGAALMNA
SCHEMBL13064238 0.83 ALDH1A1 (0.42) ALDH1A1APOBEC3AAPOBEC3GGAALMNA
SCHEMBL13064283 0.83 ALDH1A1 (0.43) ALDH1A1APOBEC3AAPOBEC3GGAALMNA
SCHEMBL861154 0.81 ALDH1A1 (0.42) ALDH1A1APOBEC3AAPOBEC3GGAALMNA
SCHEMBL13064239 0.80 ALDH1A1 (0.43) ALDH1A1APOBEC3AAPOBEC3GGAALMNA
SCHEMBL9912405 0.80 ALDH1A1 (0.42) ALDH1A1APOBEC3AAPOBEC3GGAALMNA

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
WO-2010135536-A2 METHODS OF MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed