SCHEMBL4653979

SCHEMBL4653979

Nc1ccc2c(c1)=NC(S)N=2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
F2 P00734 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAOA P21397 1/20 0.33
DRD1 P21728 1/20 0.33
ACHE P22303 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
KDR P35968 1/20 0.33
HTT P42858 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 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
SCHEMBL28141255 0.72 MEN1 (0.30) MEN1KMT2AF2LMNACHRM2
SCHEMBL19932223 0.65 CHEK1 (0.37) KMT2ADRD1KDRDYRK1A
SCHEMBL382451 0.60 NPC1 (0.35) MEN1KMT2AF2LMNACHRM2
SCHEMBL4610872 0.60 NPC1 (0.39) MEN1KMT2AF2LMNACHRM2
Water SCHEMBL11162060 0.59 NPC1 (0.34) MEN1KMT2AF2LMNACHRM2
SCHEMBL18682060 0.53 CYP3A4 (0.47) MEN1KMT2AF2LMNACHRM2
SCHEMBL10070929 0.53 CYP3A4 (0.47) MEN1KMT2AF2LMNACHRM2
SCHEMBL10659030 0.53
SCHEMBL145891 0.53 ALDH1A1 (0.77) MEN1KMT2AF2LMNACHRM2
SCHEMBL29367325 0.53 ALDH1A1 (0.77) MEN1KMT2AF2LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861391-A4 SUBSTITUTED SULFOXIDE COMPOUNDS, METHODS FOR PREPARING THE SAME AND USE THEREOF LIVZON PHARMACEUTICAL GROUP IN (CN) 2008-11-05 EP disclosed
EP-1861391-A1 SUBSTITUTED SULFOXIDE COMPOUNDS, METHODS FOR PREPARING THE SAME AND USE THEREOF Livzon Pharmaceutical Group Inc. (CN) 2007-12-05 EP disclosed
WO-2006099810-A1 SUBSTITUTED SULFOXIDE COMPOUNDS, METHODS FOR PREPARING THE SAME AND USE THEREOF LIVZON PHARMACEUTICAL GROUP INC. (CN) 2006-09-28 WO disclosed