SCHEMBL4715002

SCHEMBL4715002

COc1cc(N)ccc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.57
BLM P54132 1/20 0.57
HSPB1 P04792 2/20 0.56
SMN1; SMN2 Q16637 10/20 0.55
LMNA P02545 7/20 0.55
HTT P42858 6/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PABPC1 P11940 1/20 0.52
POLB P06746 1/20 0.51
RGS12 O14924 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL4715960 0.86 HSPB1 (0.57) MAPTBLMHSPB1SMN1; SMN2LMNA
SCHEMBL4715000 0.85 MAPT (0.57) MAPTBLMHSPB1SMN1; SMN2LMNA
SCHEMBL2853383 0.83 HSPB1 (0.64) MAPTBLMHSPB1SMN1; SMN2LMNA
SCHEMBL25200788 0.82 HSPB1 (0.59) MAPTBLMHSPB1SMN1; SMN2LMNA
SCHEMBL12594166 0.80 HSPB1 (0.57) MAPTBLMHSPB1SMN1; SMN2LMNA
SCHEMBL5530603 0.80 HTT (0.49) MAPTBLMSMN1; SMN2LMNAHTT
SCHEMBL4687037 0.80 ALDH1A1 (0.61) MAPTHSPB1SMN1; SMN2LMNAHTT
SCHEMBL12595066 0.80 HTT (0.58) MAPTBLMHSPB1SMN1; SMN2LMNA
SCHEMBL10983574 0.79 HSPB1 (0.55) MAPTBLMHSPB1SMN1; SMN2LMNA
SCHEMBL15301357 0.79 MAPT (0.55) MAPTBLMHSPB1SMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed