SCHEMBL20923558

SCHEMBL20923558

Bc1cc(C)cc2c1N(C)c1ccc(C)cc1S2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
DRD3 P35462 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SNCA P37840 4/20 0.36
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 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
SCHEMBL627550 0.82 MAOA (0.52) NOX1MEN1KMT2ADRD3ADRA2A
SCHEMBL29392464 0.82 MAOA (0.52) NOX1MEN1KMT2ADRD3ADRA2A
SCHEMBL2756770 0.75 NOX1 (0.50) NOX1MEN1KMT2ADRD3ADRA2A
SCHEMBL628765 0.74 MAOA (0.70) NOX1MEN1KMT2ADRD3ADRA2A
SCHEMBL16079009 0.72 MAPT (0.49) NOX1MEN1KMT2ADRD3ADRA2A
SCHEMBL13021724 0.70 NPSR1 (0.37) MEN1KMT2ADRD3MAPTSMN1; SMN2
SCHEMBL16075972 0.70 MAPT (0.40) NOX1MEN1KMT2ADRD3ADRA2A
SCHEMBL22779317 0.69 NOX1 (0.37) NOX1MEN1KMT2ADRD3ADRA2A
SCHEMBL15237167 0.67 DRD3 (0.45) MEN1KMT2ADRD3ADRA2AADRA2B
SCHEMBL19826819 0.67 MAPT (0.56) NOX1MEN1KMT2ADRD3ADRA2A

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-3473622-A1 COMPOUND AND ORGANIC PHOTOELECTRIC DEVICE, IMAGE SENSOR AND ELECTRONIC DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2019-04-24 EP disclosed