SCHEMBL13844940

SCHEMBL13844940

CC(=O)NCc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ ACACB O00763 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 1/20 0.41

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
SCHEMBL44625 0.90 MAPT (0.44) MAPTKMT2ATHRBMEN1LMNA
SCHEMBL16592815 0.89 MAPT (0.43) MAPTKMT2ATHRBMEN1LMNA
SCHEMBL44935 0.88 POLB (0.49) MAPTKMT2ATHRBMEN1POLB
SCHEMBL44203 0.88 MAPT (0.42) MAPTKMT2ATHRBMEN1LMNA
SCHEMBL44092 0.87 LMNA (0.42) MAPTKMT2ATHRBMEN1LMNA
SCHEMBL44457 0.86 MAPT (0.43) MAPTKMT2ATHRBMEN1LMNA
SCHEMBL44298 0.86 POLB (0.45) MAPTKMT2ATHRBMEN1LMNA
SCHEMBL43954 0.85 WDR5 (0.47) MAPTKMT2ALMNA
SCHEMBL44472 0.85 HTT (0.40) MAPTKMT2ATSHR
SCHEMBL44394 0.85 THRB (0.46) MAPTKMT2ATHRBMEN1LMNA

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-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 — — WO disclosed
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