SCHEMBL11547786

SCHEMBL11547786

Nc1cc(OCOc2cc(N)cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 7/20 0.50
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.41
CYP19A1 P11511 1/20 0.39
CYP3A4 P08684 1/20 0.38
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL11547097 0.89 MAPT (0.59) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL11548540 0.87 MAPT (0.57) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL11544085 0.87 MAPT (0.57) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL10879037 0.86 MAPT (0.78) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3922061 0.83 MAPT (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3922397 0.82 MAPT (0.52) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5203582 0.82 MAPT (0.52) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL15156144 0.82 MAPT (0.56) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL31118853 0.79 MAPT (0.56) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL189811 0.79 MAPT (0.56) MAPTMEN1KMT2AALDH1A1LMNA

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