SCHEMBL2303589

SCHEMBL2303589

COc1cc(-c2cc(N3CCNC3=O)ccc2S(N)(=O)=O)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 11/20 0.43
TGFBR1 P36897 11/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
ACVR1B P36896 4/20 0.39
KCNH2 Q12809 2/20 0.39
BMPR1A P36894 2/20 0.39
ACVRL1 P37023 2/20 0.39
BMPR1B O00238 1/20 0.39
ABL1 P00519 1/20 0.39
ADRA2A P08913 1/20 0.39
CNR1 P21554 1/20 0.39
DDR1 Q08345 1/20 0.39
PTK6 Q13882 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
SIK2 Q9H0K1 1/20 0.39
MAP3K20 Q9NYL2 1/20 0.39
NLK Q9UBE8 1/20 0.39

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
SCHEMBL2304629 0.89 CA1 (0.47) ACVR1TGFBR1CA1CA2SUV39H2
SCHEMBL2302556 0.89 ACVR1 (0.43) ACVR1TGFBR1ACVR1BKCNH2BMPR1A
SCHEMBL2301546 0.87 ACVR1 (0.40) ACVR1TGFBR1CA1CA2CA12
SCHEMBL2301153 0.84 CA1 (0.43) TGFBR1CA1CA2CA12CA9
SCHEMBL2302864 0.83 EGFR (0.43) CA1CA2CA12CA9SUV39H2
SCHEMBL14119629 0.83 ACVR1 (0.41) ACVR1TGFBR1ACVR1BKCNH2BMPR1A
SCHEMBL2301941 0.83 KDM4E (0.36) ACVR1CA1CA2CA12CA9
SCHEMBL2301613 0.82 TGFBR1 (0.42) ACVR1TGFBR1CA1CA2CA9
SCHEMBL2300277 0.81 CA12 (0.36) ACVR1CA1CA2CA12CA9
SCHEMBL2237662 0.81 PTGS2 (0.37) CA1CA2CA12CA9

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