SCHEMBL4646174

SCHEMBL4646174

SC(C=CSCc1ccc(Cl)cc1)=Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
IDO1 P14902 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 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
SCHEMBL4647260 0.86 BCHE (0.39) KMT2AMEN1MAPTL3MBTL1IDO1
SCHEMBL4647900 0.86 EPHX1 (0.35) MAPTGRIN1GRIN2BIDO1CYP1A2
SCHEMBL4647489 0.86 CYP2D6 (0.39) KMT2AMEN1MAPTIDO1NPSR1
SCHEMBL4646889 0.82 CYP1A2 (0.42) KMT2AMEN1MAPTMAPK1IDO1
SCHEMBL4647948 0.81 L3MBTL1 (0.46) KMT2AMEN1MAPTL3MBTL1TDP1
SCHEMBL4648577 0.81 BCHE (0.36) KMT2AMEN1MAPTL3MBTL1HPGD
SCHEMBL4645997 0.78 MAPT (0.50) KMT2AMEN1MAPTL3MBTL1TDP1
SCHEMBL4645225 0.78 NOS3 (0.37) MAPTGRIN1GRIN2BIDO1HPGD
SCHEMBL4646000 0.75 ALDH1A1 (0.54) KMT2AMEN1MAPTTDP1NPSR1
SCHEMBL4645410 0.75 CRHBP (0.35) IDO1CYP1A2CYP3A4CYP2D6CYP2C19

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