Indene

Indene

SCHEMBL1722574

C1=Cc2ccccc2C1.Nc1ccccc1N

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ALOX15 P16050 2/20 0.43
CYP3A4 P08684 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAOB P27338 2/20 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
Indene SCHEMBL29350094 0.89
Indene SCHEMBL8336138 0.89 CA1 (0.55) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL8617 0.89
Indene SCHEMBL25298459 0.86 CA1 (0.50) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL6285027 0.86 CA1 (0.53) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL23301011 0.86 CA1 (0.53) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL8971559 0.86 CA1 (0.53) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL7153004 0.86 CA1 (0.53) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL23071394 0.86 CA1 (0.53) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL2967405 0.86 CA1 (0.53) CA1CA2CYP2D6CYP2C19PARP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344511-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2011-07-20 EP disclosed
WO-2010054728-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-05-20 WO disclosed