SCHEMBL5315876

SCHEMBL5315876

COc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.73
MEN1 O00255 7/20 0.73
KMT2A Q03164 7/20 0.73
ALDH1A1 P00352 7/20 0.73
HSPB1 P04792 3/20 0.73
POLB P06746 3/20 0.64
MAPK1 P28482 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TTR P02766 2/20 0.58
LMNA P02545 5/20 0.57
HTT P42858 4/20 0.56
KDM4E B2RXH2 2/20 0.56
GLA P06280 2/20 0.56
GAA P10253 2/20 0.56
HPGD P15428 1/20 0.56
THRB P10828 1/20 0.55
TBXA2R P21731 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
CRHBP P24387 1/20 0.52

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
SCHEMBL11322040 0.90 MEN1 (0.82) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL25518736 0.88 ALDH1A1 (0.73) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL27720337 0.87 MAPT (0.77) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL5315872 0.87 MAPT (0.67) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL28589234 0.86 MAPT (0.75) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL27713527 0.85 ALDH1A1 (0.73) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL810817 0.84 ALDH1A1 (0.65) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL11600913 0.84 MEN1 (0.73) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL10537196 0.84 ALDH1A1 (0.73) MAPTMEN1KMT2AALDH1A1HSPB1
SCHEMBL29552654 0.84 ALDH1A1 (1.00) MAPTMEN1KMT2AALDH1A1HSPB1

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
WO-2007071344-A2 NOVEL COUPLING CONSTITUENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-06-28 WO disclosed