SCHEMBL4092444

SCHEMBL4092444

COc1ccc(-n2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[CH]CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 4/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 2/20 0.46
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.44
PTGS2 P35354 1/20 0.39

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
SCHEMBL10189642 0.85 LMNA (0.45) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL13252728 0.84 ALDH1A1 (0.45) MAPTALDH1A1LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL412564 0.83 ALDH1A1 (0.44) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL17225917 0.83 MAPT (0.44) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL17225918 0.80 ALDH1A1 (0.53) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL10241213 0.77 ALDH1A1 (0.54) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3306339 0.76 LMNA (0.50) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL408751 0.76 LMNA (0.50) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3302673 0.75 ALDH1A1 (0.48) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL10189641 0.75 ALDH1A1 (0.57) MAPTALDH1A1LMNAHPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059250-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS Synta Pharmaceuticals Corporation (US) 2009-05-20 EP disclosed
WO-2008033449-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS SYNTA PHARMACEUTICALS CORP. (US) 2008-03-20 WO disclosed