SCHEMBL7533951

SCHEMBL7533951

O=Cc1cccc(-c2ccsc2)c1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.51
TMIGD3 P0DMS9 3/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 2/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
PELI1 Q96FA3 2/20 0.39
PTPRC P08575 1/20 0.37
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2B6 P20813 1/20 0.37
TOP2A P11388 1/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL609426 0.82 ERN1 (0.49) ERN1PELI1PTPRCTRIM24TRIM33
SCHEMBL7525014 0.80 ERN1 (0.48) ERN1TMIGD3ADORA2AADORA1PELI1
SCHEMBL31152506 0.78 ERN1 (0.67) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL16439936 0.78 ERN1 (0.67) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL1043113 0.77 ERN1 (0.55) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL31364059 0.77 ERN1 (0.55) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL7528504 0.76 CA1 (0.49) ERN1TLR2TLR1TLR6
SCHEMBL1423844 0.76 ERN1 (0.50) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL28918738 0.75 ERN1 (0.49) ERN1TMIGD3ADORA2AADORA1PTPRC
SCHEMBL6763494 0.74 ERN1 (0.44) ERN1TMIGD3ADORA2AADORA1PELI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187824-B1 NOVEL (2-SUBSTITUTED-5 - 3-THIENYL) -BENZYL]- 2- ( 2-ISOPROPOXY-5-FLUORO] -PHENOXY) -ETHYL] -AMINE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS PF MEDICAMENT (FR) 2002-11-13 EP disclosed
US-6417222-B1 DRUGS FOR PSYCHOLOGICAL DISORDERS OR COGNITION ACTIVATORS PIERRE FABRE MEDICAMENT (FR) 2002-07-09 US disclosed
EP-1187824-A2 NOVEL (2-SUBSTITUTED-5 - 3-THIENYL) -BENZYL]- 2- ( 2-ISOPROPOXY-5-FLUORO] -PHENOXY) -ETHYL] -AMINE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2002-03-20 EP disclosed
WO-2000058282-A2 NOVEL [(2-SUBSTITUTED-5 -[3-THIENYL) -BENZYL]-[2- ([2-ISOPROPOXY-5-FLUORO] -PHENOXY) -ETHYL] -AMINE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2000-10-05 WO disclosed