SCHEMBL3657463

SCHEMBL3657463

CCOC(=O)CC1CNc2cccc(Oc3ccc([N+](=O)[O-])cn3)c21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSPB1 P04792 2/20 0.39
RGS12 O14924 2/20 0.38
LMNA P02545 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL3657043 0.79 HSPB1 (0.43) MAPTALDH1A1KDM4EL3MBTL1HSPB1
SCHEMBL3056900 0.70 ALDH1A1 (0.42) MAPTALDH1A1KDM4EL3MBTL1HSPB1
SCHEMBL6255747 0.69 MAPT (0.50) MAPTALDH1A1KDM4EL3MBTL1HSPB1
SCHEMBL3062661 0.68 HSPB1 (0.50) MAPTALDH1A1KDM4EL3MBTL1HSPB1
SCHEMBL5561358 0.68 CYP1A2 (0.49) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27691836 0.68 CACNA1C (0.39) MAPTKDM4EKMT2A
SCHEMBL9905744 0.68 HSPB1 (0.47) MAPTALDH1A1KDM4EL3MBTL1HSPB1
SCHEMBL9905753 0.68 HSPB1 (0.45) MAPTALDH1A1KDM4EL3MBTL1HSPB1
SCHEMBL1978695 0.67 KEAP1 (0.59) MAPTALDH1A1KDM4EL3MBTL1HSPB1
SCHEMBL6795644 0.67 HSPB1 (0.56) MAPTALDH1A1KDM4EL3MBTL1HSPB1

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-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO disclosed