SCHEMBL11809170

SCHEMBL11809170

O=[N+]([O-])c1ccc(N=Cc2cccc([N+](=O)[O-])c2O)c(N=Cc2cccc([N+](=O)[O-])c2O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.63
▸ ATM Q13315 1/20 0.63
▸ SAE1 Q9UBE0 1/20 0.63
▸ UBA2 Q9UBT2 1/20 0.63
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ ERN1 O75460 1/20 0.54
▸ KMT2A Q03164 9/20 0.52
▸ MAPT P10636 8/20 0.52
▸ HTT P42858 3/20 0.52
▸ MEN1 O00255 8/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ HPGD P15428 4/20 0.51
▸ THRB P10828 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ GPR35 Q9HC97 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ POLB P06746 2/20 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
SCHEMBL12485500 0.82 CA12 (0.60) ERN1KMT2AMAPTHTTMEN1
SCHEMBL13786955 0.82 CA12 (0.60) ERN1KMT2AMAPTHTTMEN1
SCHEMBL22624794 0.78 MAPT (0.66) APAF1ATMSAE1UBA2L3MBTL1
SCHEMBL28483618 0.78 MAPT (0.66) APAF1ATMSAE1UBA2L3MBTL1
SCHEMBL29889077 0.77 APAF1 (0.65) APAF1ATMSAE1UBA2L3MBTL1
SCHEMBL22624730 0.77 APAF1 (0.65) APAF1ATMSAE1UBA2L3MBTL1
SCHEMBL4627702 0.77 TDP1 (0.49) APAF1ATMSAE1UBA2L3MBTL1
SCHEMBL2032350 0.77 TDP1 (0.49) APAF1ATMSAE1UBA2L3MBTL1
SCHEMBL2312703 0.75 L3MBTL1 (0.68) APAF1ATMSAE1UBA2L3MBTL1
SCHEMBL12417103 0.74 MAPT (0.55) APAF1ATMSAE1UBA2L3MBTL1

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-3933737-A SULFUR-CONTAINING ORGANOTIN COMPOUNDS AND NON-SULFUR-CONTAINING ORGANOTIN COMPOUNDS KABEL-UND METALLWERKE GUTEHOFFNUNGSHUTTE AKTIENGESELLSCHAFT (DT) 1976-01-20 — — US disclosed
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