SCHEMBL17066495

SCHEMBL17066495

COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)cc2)nc(OC)n1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.85
MEN1 O00255 5/20 0.85
GAA P10253 1/20 0.73
ALOX12 P18054 4/20 0.70
ALDH1A1 P00352 7/20 0.66
MAPT P10636 4/20 0.66
KDM4E B2RXH2 1/20 0.66
CHIA Q9BZP6 1/20 0.65
AKT1 P31749 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 1/20 0.59

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
SCHEMBL13470358 0.92 KMT2A (1.00) KMT2AMEN1GAAALOX12ALDH1A1
SCHEMBL13453480 0.92 KMT2A (0.80) KMT2AMEN1GAAALOX12ALDH1A1
SCHEMBL17066661 0.92 KMT2A (0.78) KMT2AMEN1GAAALOX12ALDH1A1
SCHEMBL13469946 0.90 KMT2A (0.78) KMT2AMEN1GAAALOX12ALDH1A1
SCHEMBL13453476 0.90 KMT2A (0.82) KMT2AMEN1GAAALOX12ALDH1A1
SCHEMBL17066499 0.89 KMT2A (0.81) KMT2AMEN1GAAALOX12ALDH1A1
SCHEMBL13469951 0.89 KMT2A (0.75) KMT2AMEN1GAAALOX12ALDH1A1
SCHEMBL13469717 0.89 KMT2A (0.87) KMT2AMEN1GAAALOX12ALDH1A1
SCHEMBL17066589 0.89 KMT2A (0.86) KMT2AMEN1GAAALOX12ALDH1A1
SCHEMBL13469714 0.89 KMT2A (0.86) KMT2AMEN1GAAALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126938-B2 Phosphatidylcholine transfer protein inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-09-08 US disclosed