SCHEMBL9110118

SCHEMBL9110118

COC(=O)C(C)(C)Nc1nc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 15/20 0.46
NPSR1 Q6W5P4 3/20 0.45
S1PR4 O95977 2/20 0.45
MAPT P10636 2/20 0.45
S1PR1 P21453 2/20 0.45
MAPK1 P28482 2/20 0.45
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
PAX8 Q06710 1/20 0.45
JAK2 O60674 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
GSR P00390 2/20 0.41

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
SCHEMBL9110385 0.84 MAPT (0.53) NPSR1MAPTHTT
SCHEMBL2306805 0.77 TXNRD1 (0.54) TXNRD1NPSR1S1PR4MAPTS1PR1
SCHEMBL13728591 0.76 TXNRD1 (0.46) TXNRD1NPSR1S1PR4MAPTS1PR1
SCHEMBL21492056 0.75 PIN1 (0.49) NPSR1
SCHEMBL4311846 0.75 TXNRD1 (0.48) TXNRD1NPSR1S1PR4MAPTS1PR1
SCHEMBL4305170 0.75 TXNRD1 (0.56) TXNRD1NPSR1S1PR4MAPTS1PR1
SCHEMBL4308799 0.75 MAPT (0.65) TXNRD1NPSR1S1PR4MAPTS1PR1
SCHEMBL3403683 0.74 TXNRD1 (0.57) TXNRD1NPSR1S1PR4MAPTS1PR1
SCHEMBL28489675 0.73 TXNRD1 (0.57) TXNRD1NPSR1S1PR4MAPTS1PR1
SCHEMBL27218067 0.73 TXNRD1 (0.57) TXNRD1NPSR1S1PR4MAPTS1PR1

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
US-5424311-A A viricides for treating viral diseases; HIV enzyme inhibitor HOESCHST AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed