SCHEMBL19160201

SCHEMBL19160201

CNc1cccc2c1N(c1ccccc1Br)c1ccccc1S2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
BCHE P06276 7/20 0.38
ACHE P22303 1/20 0.38
NOX1 Q9Y5S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MGLL Q99685 1/20 0.36
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 3/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL17171663 0.78 MGLL (0.39) MAOABCHEACHENOX1HDAC6
SCHEMBL29988246 0.78 MGLL (0.50) MAOABCHEACHENOX1HDAC6
SCHEMBL14550947 0.78 MGLL (0.50) MAOABCHEACHENOX1HDAC6
SCHEMBL19160231 0.75 P2RX4 (0.39) MGLLMAPTSMN1; SMN2
SCHEMBL14244233 0.74 MAOA (0.54) MAOABCHEACHENOX1HDAC6
SCHEMBL29824891 0.74 MAOA (0.54) MAOABCHEACHENOX1HDAC6
SCHEMBL26620987 0.74 MAOA (0.41) MAOABCHEACHENOX1MAPT
SCHEMBL17171662 0.72 LMNA (0.46) BCHENOX1HDAC6MGLLMAPT
SCHEMBL28444484 0.71 HDAC6 (0.44) MAOABCHEACHENOX1HDAC6
SCHEMBL20444699 0.71 BCHE (0.44) MAOABCHEACHENOX1HDAC6

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-2872589-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed