SCHEMBL4715958

SCHEMBL4715958

Cc1cc([NH])ccc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.57
MAPT P10636 12/20 0.47
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 9/20 0.45
LMNA P02545 7/20 0.45
HTT P42858 4/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PABPC1 P11940 2/20 0.41
POLB P06746 1/20 0.41
RGS12 O14924 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40

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
SCHEMBL4715000 0.86 MAPT (0.57) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL4061482 0.84 HSPB1 (0.57) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL4715960 0.84 HSPB1 (0.57) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL3147350 0.82 HSPB1 (0.55) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL12595072 0.81 HSPB1 (0.54) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL17571121 0.81 HSPB1 (0.59) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL8917573 0.80 HSPB1 (0.53) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL21628066 0.80 HSPB1 (0.50) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL12469297 0.79 HSPB1 (0.52) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL12469298 0.79 HSPB1 (0.52) HSPB1MAPTALDH1A1L3MBTL1KDM4E

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