SCHEMBL27877288

SCHEMBL27877288

O=C(O)c1cn(-c2ccc(O)cc2)nn1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 4/20 0.57
MIF P14174 8/20 0.50
CD74 P04233 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46

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
SCHEMBL69876 0.85 ESRRA (0.62) ESRRAMIFCA1CA2CA4
SCHEMBL3477570 0.84 CA1 (0.57) ESRRACA1CA2CA4CA9
SCHEMBL11902351 0.84 CA1 (0.57) ESRRACA1CA2CA4CA9
SCHEMBL30398926 0.84 ESRRA (0.56) ESRRAMIFCD74CA1CA2
SCHEMBL2330243 0.84 CA1 (0.57) ESRRAMIFCA1CA2CA4
SCHEMBL28801446 0.84 ESRRA (0.60) ESRRAMIFCA1CA2CA4
SCHEMBL1749529 0.83 OGT (0.53) ESRRAMIFCA1CA2CA4
SCHEMBL27911606 0.83 CA1 (0.56) ESRRAMIFCA1CA2CA4
SCHEMBL4708257 0.82 MAOA (0.49) ESRRACA1CA2CA4CA9
SCHEMBL28797039 0.80 HSD17B1 (0.56) ESRRAMAOAMAOBHSD17B1HSD17B2

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
CN-102753562-B As the mannose derivative of bacterial adhesion antagonist UNIVERSITAT BASEL (CH) 2015-11-25 CN disclosed
CN-102753562-A Mannose derivatives as antagonists of bacterial adhesion UNIV BASEL 2012-10-24 CN disclosed