SCHEMBL1386304

SCHEMBL1386304

CN(CC(O)c1cccc(O)c1)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
CASR P41180 4/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRB P10828 2/20 0.39
PDK1 Q15118 1/20 0.39
CDC7 O00311 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
GSK3B P49841 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
STAT6 P42226 1/20 0.38
OPRK1 P41145 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
ATM Q13315 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL1384100 0.88 FYN (0.39) SLC16A3MEN1KMT2ALMNARAB9A
SCHEMBL3952000 0.86 SLC16A3 (0.40) SLC16A3MEN1KMT2ALMNACASR
SCHEMBL1386196 0.84 PDK1 (0.43) SLC16A3MEN1KMT2ALMNARAB9A
SCHEMBL1383618 0.76 ALOX5 (0.47) MEN1KMT2ALMNAPDK1
SCHEMBL3942976 0.76 CASR (0.41) SLC16A3MEN1KMT2ALMNACASR
SCHEMBL3944707 0.76 CCNE2 (0.39) CASRRAB9ANPSR1GSK3BSTAT6
SCHEMBL3945243 0.75 FYN (0.39) SLC16A3MEN1KMT2ALMNARAB9A
SCHEMBL20827805 0.74 PDK1 (0.40) KMT2ACASRPDK1MKNK1
SCHEMBL1383959 0.73 CASR (0.49) MEN1KMT2ACASRNPSR1RXFP1
SCHEMBL3442955 0.72 ATM (0.57) CASRRAB9ANPSR1THRBCDC7

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
JP-4825686-B2 2011-11-30 JP claimed