SCHEMBL13439833

SCHEMBL13439833

CCOCCN(C)CCOc1cc(C(=O)Nc2nnc(N3CCOCC3)[nH]2)nc(N2CCOCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NAPEPLD Q6IQ20 1/20 0.35
PIK3CA P42336 11/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11926379 0.83 AKT1 (0.41) MAPTKMT2AMAPK1HTTMTOR
SCHEMBL11929768 0.82 MAPT (0.40) MAPTMEN1KMT2APKMMAPK1
SCHEMBL11929796 0.82 MEN1 (0.43) MAPTMEN1KMT2AMAPK1NAPEPLD
SCHEMBL13813998 0.81 LMNA (0.47) MAPTMEN1KMT2APKMMAPK1
SCHEMBL13439731 0.81 AKT1 (0.46) MAPTMEN1KMT2APKMMAPK1
SCHEMBL11929767 0.80 MAPK14 (0.43)
SCHEMBL11929361 0.80 RAF1 (0.40) MAPTMEN1KMT2APKMMAPK1
SCHEMBL11930625 0.78 MEN1 (0.40) MAPTMEN1KMT2APKMMAPK1
SCHEMBL13813988 0.75 AKT1 (0.42) MAPTMEN1KMT2AHTTNAPEPLD
SCHEMBL16844680 0.68 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2KDM4E

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-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed