SCHEMBL29683048

SCHEMBL29683048

O=C(OC(=O)c1occc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1occc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.42
HSD11B1 P28845 1/20 0.41
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
CA12 O43570 5/20 0.39
CA9 Q16790 5/20 0.39
CA14 Q9ULX7 5/20 0.39
CA3 P07451 3/20 0.39
CA4 P22748 3/20 0.39
CA6 P23280 3/20 0.39
CA5A P35218 3/20 0.39
CA7 P43166 3/20 0.39
CA13 Q8N1Q1 3/20 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
SCHEMBL29350201 0.86 KMT2A (0.50) POLBKMT2AMEN1HSD11B1CA1
SCHEMBL30589912 0.75 HSD11B1 (0.46) POLBKMT2AMEN1HSD11B1CA1
SCHEMBL11855965 0.69 CA2 (0.67) POLBKMT2AHSD11B1CA1CA2
SCHEMBL3158508 0.69 CA2 (0.67) POLBKMT2AHSD11B1CA1CA2
SCHEMBL11419996 0.69 CA2 (0.67) POLBKMT2AHSD11B1CA1CA2
SCHEMBL11842004 0.68 KMT2A (0.61) POLBKMT2AMEN1HSD11B1CA1
SCHEMBL254773 0.66 CES1 (0.65) POLBKMT2AMEN1CA1CA2
SCHEMBL7940634 0.65 KMT2A (0.57) POLBKMT2AHSD11B1CA1CA2
SCHEMBL11859071 0.64 KMT2A (0.51) POLBKMT2AMEN1HSD11B1CA1
SCHEMBL9136696 0.64 TDP1 (0.78) POLBKMT2AMEN1HSD11B1CA1

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-2022071317-A1 NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY 株式会社村田製作所 2022-04-07 WO disclosed