SCHEMBL2301941

SCHEMBL2301941

Cc1cc(C)cc(-c2cc(N3CCNC3=O)ccc2S(N)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5 P09917 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
MAP4K1 Q92918 1/20 0.32
ACVR1 Q04771 2/20 0.32
CCNA2 P20248 3/20 0.31
CDK2 P24941 3/20 0.31
CCNA1 P78396 3/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
EIF2AK2 P19525 1/20 0.31
PDPK1 O15530 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
SCHEMBL2237662 0.90 PTGS2 (0.37) ALOX5CA12CA1CA2CA9
SCHEMBL2304343 0.88 CCNA2 (0.33) KDM4EALDH1A1MEN1POLBKMT2A
SCHEMBL2300277 0.86 CA12 (0.36) LMNAL3MBTL1CA12CA1CA2
SCHEMBL2302290 0.86 ACVR1 (0.39) LMNAL3MBTL1CA12CA1CA2
SCHEMBL2299883 0.85 EIF2AK2 (0.41) ALOX5CA12CA1CA2CA9
SCHEMBL2301546 0.85 ACVR1 (0.40) CA12CA1CA2CA9ACVR1
SCHEMBL2300517 0.84 PTGS2 (0.41) ALDH1A1POLBCA12CA1CA2
SCHEMBL2300496 0.83 ALDH1A1 (0.40) KDM4EALDH1A1MEN1POLBKMT2A
SCHEMBL2300991 0.83 CA1 (0.38) ALDH1A1LMNAL3MBTL1ALOX5CA12
SCHEMBL2303165 0.83 CA12 (0.39) ALDH1A1LMNACA12CA1CA2

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