SCHEMBL17309643

SCHEMBL17309643

Oc1ccccc1C1=Nc2ccccc2CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP1 P29466 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
BCHE P06276 4/20 0.46
ACHE P22303 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 5/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL13485748 0.84 MEN1 (0.56) MAPTNPSR1MEN1KMT2ACASP1
SCHEMBL28302465 0.79 NOS3 (0.47) MAPTNOS3NOS1NOS2RAB9A
SCHEMBL29746229 0.73 NOS3 (0.53) MAPTMEN1KMT2AL3MBTL1NOS3
SCHEMBL2127063 0.72 NOS3 (0.57) MAPTMEN1KMT2ANOS3NOS1
SCHEMBL13961627 0.69 HRH4 (0.46) MAPTNPSR1MEN1KMT2ACASP1
SCHEMBL16372983 0.68 NOS3 (0.52) MAPTNOS3NOS1NOS2BCHE
SCHEMBL15066599 0.68 BCHE (0.42) MAPTNPSR1MEN1KMT2ACASP1
SCHEMBL11887426 0.67 NPSR1 (0.54) MAPTNPSR1MEN1KMT2ACASP1
SCHEMBL20675773 0.67 NPSR1 (0.44) MAPTNPSR1MEN1KMT2ACASP1
SCHEMBL5958858 0.66 NOS3 (0.59) MAPTMEN1KMT2ANOS3NOS1

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-1761614-B1 ELECTROLUMINESCENT MATERIALS AND DEVICES MERCK PATENT GMBH (DE) 2015-12-02 EP disclosed