SCHEMBL861141

SCHEMBL861141

O=C(CSc1nnnn1-c1ccc(C2CC2)cc1Cl)Nc1ccc(C#COC(=O)C2CC2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.42
LMNA P02545 5/20 0.42
MAPT P10636 5/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APOBEC3A P31941 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
CLK1 P49759 1/20 0.39
TSHR P16473 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
SCHEMBL9911390 0.84 ALDH1A1 (0.44) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL9612075 0.84 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL861077 0.84 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL860991 0.84 ALDH1A1 (0.42) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL861154 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL9612028 0.82 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL9612019 0.82 ALDH1A1 (0.40) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL9911388 0.81 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL861071 0.81 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPOLBNPSR1
SCHEMBL9911392 0.80 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432468-A2 METHODS OF MODULATING URIC ACID LEVELS Ardea Biosciences, Inc. (US) 2012-03-28 EP disclosed
WO-2010135536-A2 METHODS OF MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed