SCHEMBL9322138

SCHEMBL9322138

CCCCCCOc1cc(OCCCCCC)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
PLA2G4B P0C869 1/20 0.53
ESR1 P03372 1/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
CYP19A1 P11511 4/20 0.49
PRSS1 P07477 4/20 0.49
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALPG P10696 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 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
SCHEMBL8358085 0.91 MAPT (0.51) THRATHRBPLA2G4BESR1MAPT
SCHEMBL11229570 0.91 THRA (0.50) THRATHRBPLA2G4BESR1MAPT
SCHEMBL9322159 0.88 THRA (0.48) THRATHRBPLA2G4BESR1MAPT
SCHEMBL2249192 0.88 ESR1 (0.52) THRATHRBPLA2G4BESR1MAPT
SCHEMBL6933094 0.88 ESR1 (0.52) THRATHRBPLA2G4BESR1MAPT
SCHEMBL11221682 0.86 THRA (0.49) THRATHRBPLA2G4BESR1MAPT
SCHEMBL8888172 0.86 THRB (0.49) THRATHRBPLA2G4BESR1MAPT
SCHEMBL11581876 0.86 MAPT (0.49) THRATHRBPLA2G4BESR1MAPT
SCHEMBL8358231 0.83 MAPT (0.57) THRATHRBPLA2G4BMAPTLMNA
SCHEMBL7786961 0.83 CYP19A1 (0.60) THRATHRBPLA2G4BMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402688-B1 1,3-Di-arylmethoxy-4,6-dinitrobenzenes, process for their preparation and process for preparing 4,6-diaminoresorcin BAYER AG (DE) 1994-02-16 EP claimed
US-5072053-A Monomers for polybenzoxazoles BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US claimed
JP-3024038-A None JP disclosed
EP-0402688-B1 1,3-Di-arylmethoxy-4,6-dinitrobenzenes, process for their preparation and process for preparing 4,6-diaminoresorcin BAYER AG (DE) 1994-02-16 EP disclosed
US-5072053-A Monomers for polybenzoxazoles BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
US-5072053-A Monomers for polybenzoxazoles BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
JP-H0324038-A 1,3-ARYLMETHOXY-4,6-DINITRO-BENZENE, ITS PRODUCTION AND PRODUCTION OF 4,6-DIAMINORESORCINOL BAYER AG 1991-02-01 JP disclosed
EP-0402688-A2 1,3-Di-arylmethoxy-4,6-dinitrobenzenes, process for their preparation and process for preparing 4,6-diaminoresorcin BAYER AG (DE) 1990-12-19 EP disclosed
EP-0402688-A2 1,3-Di-arylmethoxy-4,6-dinitrobenzenes, process for their preparation and process for preparing 4,6-diaminoresorcin BAYER AG (DE) 1990-12-19 EP disclosed