SCHEMBL5315872

SCHEMBL5315872

COc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.67
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
ALDH1A1 P00352 7/20 0.67
LMNA P02545 5/20 0.67
HSPB1 P04792 3/20 0.59
TBXA2R P21731 1/20 0.57
HPGD P15428 2/20 0.55
TTR P02766 2/20 0.54
POLB P06746 2/20 0.53
HTT P42858 4/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GLA P06280 2/20 0.53
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.51
PAX8 Q06710 1/20 0.51
PIN1 Q13526 1/20 0.50

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
SCHEMBL27707836 0.93 MEN1 (0.76) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL10362242 0.88 MEN1 (0.74) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5315876 0.87 MAPT (0.73) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13400264 0.86 MEN1 (0.67) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL27713527 0.85 ALDH1A1 (0.73) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4790993 0.84 MAPT (0.71) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL31120715 0.84 HSPB1 (0.55) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL30668812 0.84 L3MBTL1 (0.64) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1339905 0.84 L3MBTL1 (0.64) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7813399 0.83 MEN1 (0.72) 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
WO-2007071344-A2 NOVEL COUPLING CONSTITUENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-06-28 WO disclosed