SCHEMBL8018878

SCHEMBL8018878

O=C(O)c1ccc(S(=O)(=O)Nc2cccc(OBOc3cccc(NS(=O)(=O)c4ccc(C(=O)O)cc4)c3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
GFER P55789 1/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 2/20 0.51
LIMK2 P53671 1/20 0.51
TCF4 P15884 1/20 0.50
CTNNB1 P35222 1/20 0.50
MAPT P10636 1/20 0.49
PFKFB3 Q16875 1/20 0.49
CYP19A1 P11511 1/20 0.49

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
SCHEMBL8007630 0.97 POLB (0.56) POLBCA12CA9CA1CA2
SCHEMBL8013318 0.96 POLB (0.55) POLBCA12CA9CA1CA2
SCHEMBL8009400 0.87 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPTPFKFB3
SCHEMBL7997927 0.82 HTR6 (0.66) CA9CA1CA2KMT2AALDH1A1
SCHEMBL8013124 0.79 CA2 (0.61) POLBCA12CA9CA1CA2
SCHEMBL3715141 0.78 CA12 (0.75) POLBCA12CA9CA1CA2
SCHEMBL664321 0.78 KMT2A (0.75) POLBCA12CA9CA1CA2
SCHEMBL22653513 0.78 POLB (0.65) POLBCA12CA9CA1CA2
SCHEMBL662338 0.78 KMT2A (0.65) POLBCA12CA9CA1CA2
SCHEMBL8018877 0.76 POLB (0.62) POLBCA12CA9CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000035904-A1 INHIBITORS OF β-LACTAMASES AND USES THEREFOR NORTHWESTERN UNIVERSITY (US) 2000-06-22 WO disclosed