SCHEMBL9322159

SCHEMBL9322159

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PLA2G4B P0C869 1/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ESR1 P03372 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 4/20 0.43
PRSS1 P07477 2/20 0.43
KMT2A Q03164 2/20 0.42
APAF1 O14727 1/20 0.42
NTSR1 P30989 1/20 0.42
UBE2N P61088 1/20 0.42
ALPG P10696 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 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
SCHEMBL9322138 0.88 THRA (0.54) THRATHRBPLA2G4BLMNASMN1; SMN2
SCHEMBL8358085 0.82 MAPT (0.51) THRATHRBPLA2G4BLMNASMN1; SMN2
SCHEMBL28403518 0.80 THRA (0.48) THRATHRBPLA2G4BLMNASMN1; SMN2
SCHEMBL28403526 0.80 THRA (0.48) THRATHRBPLA2G4BLMNASMN1; SMN2
SCHEMBL28403461 0.80 THRA (0.48) THRATHRBPLA2G4BLMNASMN1; SMN2
SCHEMBL6933094 0.80 ESR1 (0.52) THRATHRBPLA2G4BLMNASMN1; SMN2
SCHEMBL2249192 0.80 ESR1 (0.52) THRATHRBPLA2G4BLMNASMN1; SMN2
SCHEMBL11229570 0.79 THRA (0.50) THRATHRBPLA2G4BLMNASMN1; SMN2
SCHEMBL24865928 0.78 MAPT (0.46) THRATHRBPLA2G4BLMNASMN1; SMN2
SCHEMBL30867095 0.78 MAPT (0.46) THRATHRBPLA2G4BLMNASMN1; SMN2

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