SCHEMBL2304022

SCHEMBL2304022

N#CCc1ccc(-c2cc(N3CCNC3=O)ccc2S(N)(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
POLB P06746 1/20 0.33
PTGS2 P35354 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CG P48736 1/20 0.32
SCN9A Q15858 1/20 0.31
TNF P01375 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
SLC22A12 Q96S37 1/20 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
SCHEMBL2300517 0.84 PTGS2 (0.41) ALDH1A1POLBPTGS2ALOX5APFEN1
SCHEMBL2301170 0.83 CA2 (0.40) TSHR
SCHEMBL2302226 0.83 CA1 (0.34) LMNAALDH1A1PTGS2ALOX5APFEN1
SCHEMBL2301215 0.83 CA2 (0.37) PTGS2ALOX5APFEN1
SCHEMBL2237662 0.83 PTGS2 (0.37) PTGS2
SCHEMBL2305060 0.83 CA1 (0.40) PTGS2
SCHEMBL2299883 0.83 EIF2AK2 (0.41) PTGS2ALOX5APFEN1
SCHEMBL2301951 0.82 CA2 (0.41)
SCHEMBL2300359 0.81 CA2 (0.41) ALDH1A1TSHRMEN1KMT2A
SCHEMBL2303165 0.81 CA12 (0.39) LMNAALDH1A1ALOX5APFEN1

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-2536693-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS Université Laval (CA) 2012-12-26 EP disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 WO disclosed