SCHEMBL4645967

SCHEMBL4645967

Cc1ccc(N=C(S)C=CSCc2ccccc2C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
HTR3B O95264 1/20 0.33
PLAU P00749 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 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
SCHEMBL4648577 0.84 BCHE (0.36) SMN1; SMN2NOS3NOS1NOS2MAPT
SCHEMBL4645225 0.82 NOS3 (0.37) SMN1; SMN2NOS3NOS1NOS2MAPT
SCHEMBL4647489 0.81 CYP2D6 (0.39) SMN1; SMN2NOS3NOS1NOS2MAPT
SCHEMBL4648222 0.77 MEN1 (0.35) SMN1; SMN2NOS3NOS1NOS2MAPT
SCHEMBL4647260 0.76 BCHE (0.39) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL4647590 0.76 ACHE (0.39) SMN1; SMN2NOS3NOS1NOS2MAPT
SCHEMBL4646608 0.74 ACHE (0.41) SMN1; SMN2NOS3NOS1NOS2MAPT
SCHEMBL4646168 0.74 HPGD (0.34) MAPTMETAP2HPGD
SCHEMBL4646104 0.73 MAPT (0.50) SMN1; SMN2NOS3NOS1NOS2MAPT
SCHEMBL4647027 0.71 MAPT (0.46) SMN1; SMN2NOS3NOS1NOS2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957459-A2 IMINOPROPENE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed