SCHEMBL9435728

SCHEMBL9435728

[CH2]CCc1cccc2c1N(C)c1ccccc1S2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
NOX1 Q9Y5S8 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
CHRM3 P20309 2/20 0.42
SLC6A2 P23975 2/20 0.42
HTR2C P28335 2/20 0.42
SLC6A4 P31645 2/20 0.42
DRD3 P35462 2/20 0.42
HTR2B P41595 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 3/20 0.40
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.38

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
SCHEMBL9818558 0.77 LMNA (0.50) MAOANOX1L3MBTL1MEN1KMT2A
SCHEMBL2586864 0.74 MAOA (0.64) MAOANOX1L3MBTL1ADRA2AADRA2B
SCHEMBL29377505 0.72 MAOA (1.00) MAOANOX1L3MBTL1ADRA2AADRA2B
SCHEMBL231247 0.72 MAOA (1.00) MAOANOX1L3MBTL1ADRA2AADRA2B
SCHEMBL7122154 0.70 MAOA (0.58) MAOANOX1L3MBTL1ADRA2AADRA2B
SCHEMBL6651734 0.70 MAOA (0.58) MAOANOX1L3MBTL1ADRA2AADRA2B
SCHEMBL8965779 0.70 MAOA (0.41) MAOANOX1ADRA2ASLC6A2SLC6A4
SCHEMBL16892119 0.68 MAOA (0.60) MAOANOX1L3MBTL1ADRA2AADRA2B
SCHEMBL7071638 0.68 MAOA (0.55) MAOANOX1L3MBTL1ADRA2AADRA2B
SCHEMBL21402739 0.68 KDM1A (0.48) MAOAADRA2AADRA2BADRA2CCHRM3

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
US-5362559-A Improved strength and uniformity KABUSHIKI KAISHA TOSHIBA (JP) 1994-11-08 US claimed