SCHEMBL4780609

SCHEMBL4780609

O=C1c2ccccc2C(=CC(=O)N2CCSCC2)c2cccc(O)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TTR P02766 1/20 0.39
GLA P06280 1/20 0.38
PKM P14618 1/20 0.37
STAT3 P40763 1/20 0.37
POLB P06746 2/20 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
SCHEMBL4582569 0.88 LMNA (0.43) LMNAALDH1A1HPGDSMN1; SMN2PKM
SCHEMBL4797387 0.78 ACHE (0.46) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL14273445 0.74 ALDH1A1 (0.52) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL4778439 0.73 MAOA (0.51) MAOAKMT2AMAPTMEN1LMNA
SCHEMBL4780631 0.71 MAOA (0.49) MAOAKMT2AMAPTMEN1LMNA
SCHEMBL4782134 0.69 MAP3K7 (0.56) MAOAKMT2AMAPTMEN1TTR
SCHEMBL4795380 0.69 MAPT (0.55) MAOAKMT2AMAPTMEN1LMNA
SCHEMBL4795882 0.69 MAP3K7 (0.56) MAOAKMT2AMAPTMEN1LMNA
SCHEMBL4782629 0.69 MAOA (0.46) MAOAKMT2AMAPTMEN1LMNA
Anthrarufin SCHEMBL25355428 0.67 MAOA (0.86) MAOAKMT2AMAPTMEN1LMNA

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
WO-2008015265-A1 ANTHRACEN DERIVATIVES AND THEIR USE FOR THE TREATMENT OF BENIGN AND MALIGNANT TUMOROUS DISEASES ÆTERNA ZENTARIS GMBH (DE) 2008-02-07 WO claimed
WO-2008015265-A1 ANTHRACEN DERIVATIVES AND THEIR USE FOR THE TREATMENT OF BENIGN AND MALIGNANT TUMOROUS DISEASES ÆTERNA ZENTARIS GMBH (DE) 2008-02-07 WO disclosed