SCHEMBL13064239

SCHEMBL13064239

CC(C)(NCc1ccccc1O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CLK1 P49759 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
P4HB P07237 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL860814 0.88 ALDH1A1 (0.39) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL9612036 0.85 ALDH1A1 (0.47) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL9612064 0.84 ALDH1A1 (0.46) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL13064238 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL9612020 0.83 ALDH1A1 (0.45) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL9912406 0.81 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL13064243 0.80 ALDH1A1 (0.42) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL13064283 0.80 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL9912405 0.78 ALDH1A1 (0.42) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL9912400 0.78 ALDH1A1 (0.42) ALDH1A1LMNAMAPTPOLBNPSR1

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