SCHEMBL11277148

SCHEMBL11277148

CCN(CC)CCOC(=S)C(C)Oc1ccc(-c2ncc(Cl)cc2Cl)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
ACHE P22303 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
MAOA P21397 2/20 0.33
HTR3A P46098 2/20 0.33
KCNH2 Q12809 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2C P28335 1/20 0.33
CHRNA4 P43681 1/20 0.33
AGER Q15109 2/20 0.33
CCR4 P51679 1/20 0.32
MYC P01106 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MELK Q14680 1/20 0.32
KDR P35968 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31

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
SCHEMBL11263013 0.87 L3MBTL1 (0.34) L3MBTL1SMN1; SMN2HTTTSHRKDM4E
SCHEMBL11263644 0.84 KDM4E (0.34) L3MBTL1SMN1; SMN2KDRHTTTSHR
SCHEMBL11270045 0.82 APP (0.35) L3MBTL1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL11147539 0.81 CNR2 (0.35) L3MBTL1HTR2CSMN1; SMN2KDRHTT
SCHEMBL10791367 0.81 L3MBTL1 (0.32) L3MBTL1SMN1; SMN2HTTKDM4E
SCHEMBL11260667 0.81 L3MBTL1 (0.32) L3MBTL1SMN1; SMN2HTTKDM4E
SCHEMBL11497464 0.80 L3MBTL1 (0.43) L3MBTL1CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL11263454 0.79 ADORA2A (0.35) L3MBTL1HTTKDM4E
SCHEMBL10510541 0.79 ALDH1A1 (0.38) L3MBTL1HTR2CSMN1; SMN2HTTCYP1A2
SCHEMBL732544 0.79 L3MBTL1 (0.46) L3MBTL1HTR2CSMN1; SMN2HTTTSHR

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-4309210-A HERBICIDE AND SAFENING AGENT CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed