SCHEMBL1721328

SCHEMBL1721328

OCCCCOc1nc(NN=Cc2c[nH]c3ccccc23)cc(N2CCOCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
GAA P10253 6/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
LMNA P02545 5/20 0.50
PIKFYVE Q9Y2I7 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TYK2 P29597 2/20 0.49
SYK P43405 2/20 0.49
IRAK4 Q9NWZ3 2/20 0.49
FES P07332 1/20 0.49
FER P16591 1/20 0.49
FRK P42685 1/20 0.49
CAMK1D Q8IU85 1/20 0.49
THRB P10828 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL1721324 1.00 MAPT (0.50) MAPTGAAMEN1KMT2ALMNA
SCHEMBL13004729 0.97 MAPT (0.51) MAPTGAAMEN1KMT2ALMNA
SCHEMBL10198704 0.91 L3MBTL1 (0.56) MAPTGAAMEN1KMT2ALMNA
SCHEMBL426316 0.91 L3MBTL1 (0.56) MAPTGAAMEN1KMT2ALMNA
SCHEMBL426317 0.91 L3MBTL1 (0.56) MAPTGAAMEN1KMT2ALMNA
SCHEMBL10196654 0.88 MAPT (0.53) MAPTGAAMEN1KMT2ALMNA
SCHEMBL428754 0.88 MAPT (0.53) MAPTGAAMEN1KMT2ALMNA
SCHEMBL428753 0.88 MAPT (0.53) MAPTGAAMEN1KMT2ALMNA
SCHEMBL1617306 0.87 PIKFYVE (0.54) MAPTGAAMEN1KMT2ALMNA
SCHEMBL1617304 0.87 PIKFYVE (0.54) MAPTGAAMEN1KMT2ALMNA

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
EP-1458687-B1 PYRIMIDINE COMPOUNDS AS INTERLEUKIN-12 (IL-12) INHIBITORS SYNTA PHARMACEUTICALS CORP (US) 2012-01-11 EP claimed