SCHEMBL6905968

SCHEMBL6905968

Cc1[nH]cnc1CSCCCSCc1nc[nH]c1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.72
SLC47A1 Q96FL8 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.55
HRH2 P25021 3/20 0.50
MEN1 O00255 1/20 0.50
SLC22A2 O15244 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
ATP4A P20648 1/20 0.50
APEX1 P27695 1/20 0.50
PDE4A P27815 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADRA1A P35348 1/20 0.50
ATP4B P51164 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC47A2 Q86VL8 1/20 0.50

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
SCHEMBL9866890 0.90 L3MBTL1 (0.79) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
Bromide SCHEMBL9865390 0.88 L3MBTL1 (0.77) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
SCHEMBL10540319 0.85 L3MBTL1 (0.59) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
SCHEMBL11545751 0.85 L3MBTL1 (0.68) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
SCHEMBL11544506 0.85 L3MBTL1 (0.68) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
Hydrochloric Acid SCHEMBL10545532 0.84 L3MBTL1 (0.61) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
Bromide SCHEMBL11190708 0.84 L3MBTL1 (0.93) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
Hydrochloric Acid SCHEMBL11545099 0.84 L3MBTL1 (0.71) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
SCHEMBL10678280 0.81 L3MBTL1 (0.62) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
SCHEMBL11526669 0.81 L3MBTL1 (0.50) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1

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
US-6730757-B2 CATALYST SYSTEMS COMPRISING A COMPLEX HAVING ONE OF THE FORMULAS LMX1X2 AND LML' AND AN ACTIVATING COCATALYST, AND USE OF THE CATALYST SYSTEM IN POLYMERIZING OLEFINIC MONOMERS. IN EITHER OF THE FOREGOING FORMULAS, L IS A CHELATING LIGAND EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2004-05-04 US disclosed
US-20030171209-A1 Sulfur-containing and sulfur-nitrogen-containing catalysts for polymerization of olefins and polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2003-09-11 US disclosed