SCHEMBL13352804

SCHEMBL13352804

CC1(C)c2ccccc2N2c3ccc(N4c5ccccc5Oc5ccccc54)cc3C(C)(C)c3cccc1c32

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
PGR P06401 2/20 0.31
P2RX4 Q99571 3/20 0.31

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
SCHEMBL13353447 0.92 KMT2A (0.36) MAPTNPSR1KMT2AMEN1HTT
SCHEMBL13371106 0.86 PGR (0.36) MAPTSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL24414837 0.86 MAPT (0.40) MAPTSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL2453063 0.85 KMT2A (0.37) MAPTSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL9886660 0.83 MAPT (0.34) MAPTSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL22115541 0.83 KDM4E (0.38) MAPTSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL15434786 0.83 KMT2A (0.36) MAPTSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL12723354 0.83 MAPT (0.37) MAPTSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL13353419 0.83 TSHR (0.39) SMN1; SMN2NPSR1KMT2AMEN1POLB
SCHEMBL13371104 0.83 TNKS (0.34) SMN1; SMN2KMT2AMEN1CYP1A2CYP2D6

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-2182040-A2 Aromatic compounds and organic electronic device using the same Gracel Display Inc. (KR) 2010-05-05 EP disclosed