SCHEMBL5425626

SCHEMBL5425626

O=C(c1ccccc1)C(c1ccccc1)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.53
ACHE P22303 4/20 0.53
HTR1A P08908 1/20 0.50
ADRB3 P13945 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
DRD3 P35462 1/20 0.50
HTR2B P41595 1/20 0.50
HTR6 P50406 1/20 0.50
LMNA P02545 3/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL5430264 0.77 LMNA (0.46) LMNACES2CES1TDP1L3MBTL1
SCHEMBL29833662 0.73 BCHE (0.54) BCHEACHEHTR1AADRB3HTR2A
SCHEMBL3696465 0.73 BCHE (0.54) BCHEACHEHTR1AADRB3HTR2A
SCHEMBL6319092 0.72 LMNA (0.52) LMNACES2CES1TDP1L3MBTL1
SCHEMBL16195889 0.72 BCHE (0.53) BCHEACHEHTR1AADRB3HTR2A
SCHEMBL17827511 0.71 BCHE (0.53) BCHEACHEHTR1AADRB3HTR2A
SCHEMBL439056 0.70 BCHE (0.56) BCHEACHEHTR1AADRB3HTR2A
SCHEMBL343497 0.69 BCHE (1.00) BCHEACHETDP1L3MBTL1NOX1
SCHEMBL502506 0.67 BCHE (0.55) BCHEACHEHTR1AADRB3HTR2A
SCHEMBL4446747 0.66 BCHE (0.73) BCHEACHEHTR1AADRB3HTR2A

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-20070219292-A1 INK SET FOR INK-JET RECORDING, POLYMERIZATION METHOD AND IMAGE FORMING METHOD KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-09-20 US disclosed