SCHEMBL21187241

SCHEMBL21187241

IN1c2ccccc2C2(c3ccccc3Sc3ccccc32)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
BCHE P06276 8/20 0.37
ACHE P22303 4/20 0.35
NOX1 Q9Y5S8 3/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MEN1 O00255 2/20 0.34
SLC6A2 P23975 2/20 0.34
HTR2C P28335 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CNR1 P21554 1/20 0.34
SNCA P37840 1/20 0.34

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
SCHEMBL20539744 0.81 NOX1 (0.48) MAOABCHEACHENOX1PTGS1
SCHEMBL19660985 0.81 MAOA (0.61) MAOABCHENOX1PTGS1PTGS2
SCHEMBL30972504 0.78 HDAC6 (0.40) MAOABCHEACHENOX1PTGS1
SCHEMBL15030784 0.78 HDAC6 (0.40) MAOABCHEACHENOX1PTGS1
SCHEMBL21184892 0.78 MEN1 (0.41) MEN1KMT2AMAPTTDP1
SCHEMBL12655447 0.77 MAOA (0.58) MAOABCHEACHENOX1PTGS1
SCHEMBL19654649 0.77 MAOA (0.41) MAOABCHEACHENOX1PTGS1
SCHEMBL19660996 0.77 MAOA (0.41) MAOABCHEACHENOX1PTGS1
SCHEMBL21969105 0.75 MAOA (0.36) MAOABCHEACHENOX1PTGS1
SCHEMBL20160481 0.74 LMNA (0.38) MEN1KMT2APOLBGAAMAPT

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
WO-2019143112-A1 ORGANIC ELECTROLUMINESCENT DEVICE 주식회사 두산 2019-07-25 WO disclosed