SCHEMBL6141564

SCHEMBL6141564

CC(C)(C)OC(=O)c1cnc(N)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
SLC7A5 Q01650 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MET P08581 1/20 0.37
GABRA1 P14867 6/20 0.36
GABRG2 P18507 6/20 0.36
GABRB3 P28472 6/20 0.36
GABRA3 P34903 6/20 0.36
GABRA2 P47869 6/20 0.36
GABRA5 P31644 4/20 0.36
GABRA4 P48169 3/20 0.36
GABRA6 Q16445 3/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRB2 P47870 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
SCHEMBL5519457 0.85 ALOX15 (0.40) ALOX15SLC7A5CA12CA1CA2
SCHEMBL27570249 0.85 ALOX15 (0.40) ALOX15SLC7A5CA12CA1CA2
SCHEMBL2215365 0.84 HTT (0.42) ALOX15SLC7A5CA12CA1CA2
SCHEMBL26622785 0.84 ALOX15 (0.40) ALOX15SLC7A5CA12CA1CA2
SCHEMBL13574670 0.84 CA12 (0.37) ALOX15SLC7A5CA12CA1CA2
SCHEMBL27516326 0.83 GABRA1 (0.38) ALOX15SLC7A5CA12CA1CA2
SCHEMBL31705858 0.81 KDM4E (0.51) ALOX15CA12CA1CA2CA9
SCHEMBL41129 0.81 KDM4E (0.51) ALOX15CA12CA1CA2CA9
SCHEMBL28771015 0.78 SLC7A5 (0.34) ALOX15SLC7A5CA12CA1CA2
SCHEMBL710842 0.77 CYP2C9 (0.53) ALOX15CA12CA1CA2CA9

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-1199306-B1 BIARYLUREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2005-12-07 EP disclosed
US-6958333-B1 Biarylurea derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-10-25 US disclosed
EP-1557168-A2 Biarylurea Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-27 EP disclosed
EP-1199306-A1 BIARYLUREA DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-04-24 EP disclosed