SCHEMBL11545962

SCHEMBL11545962

Nc1ccc(OCCCCCOc2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 3/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.50
PRSS1 P07477 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL11550814 1.00 MAPT (0.59) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL11549858 1.00 MAPT (0.59) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL11548169 0.98 MAPT (0.60) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL11545117 0.95 MAPT (0.60) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL11420051 0.93 MAPT (0.62) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL16516244 0.93 MAPT (0.52) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL16516336 0.93 MAPT (0.63) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL16742372 0.93 MAPT (0.63) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL18109929 0.93 MAPT (0.52) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL17916659 0.93 MAPT (0.52) MAPTALDH1A1LMNATDP1MEN1

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-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 US disclosed