SCHEMBL4108908

SCHEMBL4108908

COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CNC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL413395 0.91 LMNA (0.45) LMNAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL13041051 0.90 LMNA (0.45) LMNAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3306339 0.89 LMNA (0.50) LMNAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL411149 0.88 LMNA (0.44) LMNAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL411380 0.88 LMNA (0.46) LMNAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3302673 0.87 ALDH1A1 (0.48) LMNAALDH1A1SMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL407548 0.87 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL10189689 0.87 NPSR1 (0.49) LMNAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL411212 0.86 LMNA (0.44) LMNAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL10189687 0.86 LMNA (0.46) LMNAALDH1A1SMN1; SMN2MAPTHPGD

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