SCHEMBL16359138

SCHEMBL16359138

O=c1c2ccccc2c2ccc3cccnc3c2n1-c1cc(-c2ccccc2)cc(C2C=CC=CC2)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.32
MAPT P10636 1/20 0.31
GAA P10253 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL14933477 0.83 CYP2C19 (0.40) FABP1MAPTGAACYP1A2CYP2C19
SCHEMBL20633747 0.71 MAPT (0.38) FABP1MAPTGAACYP1A2CYP2C19
SCHEMBL12831570 0.69
SCHEMBL17621796 0.69
SCHEMBL21735191 0.69 KDM4E (0.34)
SCHEMBL21473985 0.68
SCHEMBL25570683 0.68 KDM4E (0.33)
SCHEMBL21583503 0.67 HDAC4 (0.36)
SCHEMBL16901341 0.67 KDM4E (0.36)
SCHEMBL19075123 0.67 HDAC4 (0.33)

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-2773721-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2015-11-25 EP disclosed
WO-2013064206-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-05-10 WO disclosed