SCHEMBL7045828

SCHEMBL7045828

CC#COc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
ALDH1A1 P00352 5/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
CYP3A4 P08684 4/20 0.66
TP53 P04637 3/20 0.66
KDM4E B2RXH2 3/20 0.66
MAOA P21397 3/20 0.66
MAOB P27338 3/20 0.66
HPGD P15428 2/20 0.66
HSD17B10 Q99714 2/20 0.66
IL2 P60568 2/20 0.66
CYP2D6 P10635 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
XDH P47989 1/20 0.66
BCL2 P10415 1/20 0.66
CYP1B1 Q16678 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66

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
SCHEMBL7041317 0.94 XDH (0.60) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7044922 0.89 ALDH1A1 (0.70) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL571576 0.87 XDH (0.84) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7045859 0.82 RAB9A (0.80) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5814089 0.81 XDH (0.78) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10441792 0.81 MAPT (0.74) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL738941 0.80 ALDH2 (0.80) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14070597 0.80 ALDH2 (0.80) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30527918 0.80 ALDH2 (0.80) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Isoformonentin SCHEMBL73338 0.80 XDH (1.00) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212312-B1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA SPA (IT) 2003-04-02 EP disclosed
CN-1371371-A Novel derivatives of flavones, xanthones and coumarins INDENA SPA (IT) 2002-09-25 CN disclosed
EP-1212312-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.p.A. (IT) 2002-06-12 EP disclosed
WO-2001017985-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.P.A. (IT) 2001-03-15 WO disclosed