SCHEMBL10445918

SCHEMBL10445918

Nc1nc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc2[nH]cnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ CA1 P00915 6/20 0.39
▸ CA2 P00918 6/20 0.39
▸ CA12 O43570 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ CA14 Q9ULX7 3/20 0.39
▸ CA7 P43166 3/20 0.39
▸ CA3 P07451 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ CA6 P23280 2/20 0.39
▸ CA5A P35218 2/20 0.39
▸ CA13 Q8N1Q1 2/20 0.39
▸ CA5B Q9Y2D0 2/20 0.39
▸ NFKBIA P25963 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ AGTR1 P30556 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
SCHEMBL3915550 0.72 TLR7 (0.34) LMNA
SCHEMBL20567761 0.72 PNP (0.30) —
SCHEMBL30575451 0.71 KCNH2 (0.43) KMT2AMAPTMEN1LMNA
SCHEMBL7765652 0.70 TNNI3K (0.34) —
SCHEMBL27989958 0.68 POLB (0.48) POLBCA1CA2CA12CA9
SCHEMBL31716383 0.66 RIPK1 (0.43) POLBRELACYP3A4NAMPTXDH
SCHEMBL3158508 0.65 CA2 (0.67) POLBCA1CA2CA12CA9
SCHEMBL11855965 0.65 CA2 (0.67) POLBCA1CA2CA12CA9
SCHEMBL11419996 0.65 CA2 (0.67) POLBCA1CA2CA12CA9
2,6-Diaminopurine SCHEMBL7659157 0.65 GDA (0.41) CA1CA2CA9KMT2AMAPT

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
EP-0354638-A2 Use of adenosine and its derivatives in diagnosis MEDCO RESEARCH INC (US) 1990-02-14 — — EP disclosed
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