SCHEMBL17066497

SCHEMBL17066497

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

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.78
MEN1 O00255 5/20 0.78
ALOX12 P18054 4/20 0.74
GAA P10253 1/20 0.72
ALDH1A1 P00352 7/20 0.67
MAPT P10636 3/20 0.67
KDM4E B2RXH2 1/20 0.67
CHIA Q9BZP6 1/20 0.64
POLB P06746 1/20 0.61
AKT1 P31749 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HPGD P15428 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPSR1 Q6W5P4 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
SCHEMBL13453476 0.89 KMT2A (0.82) KMT2AMEN1ALOX12GAAALDH1A1
SCHEMBL17066499 0.89 KMT2A (0.81) KMT2AMEN1ALOX12GAAALDH1A1
SCHEMBL13469714 0.88 KMT2A (0.86) KMT2AMEN1ALOX12GAAALDH1A1
SCHEMBL13453473 0.88 KMT2A (0.86) KMT2AMEN1ALOX12GAAALDH1A1
SCHEMBL13470358 0.88 KMT2A (1.00) KMT2AMEN1ALOX12GAAALDH1A1
SCHEMBL17066589 0.88 KMT2A (0.86) KMT2AMEN1ALOX12GAAALDH1A1
SCHEMBL13453522 0.88 KMT2A (0.86) KMT2AMEN1ALOX12GAAALDH1A1
SCHEMBL17066495 0.87 KMT2A (0.85) KMT2AMEN1ALOX12GAAALDH1A1
SCHEMBL13469940 0.87 KMT2A (0.79) KMT2AMEN1ALOX12GAAALDH1A1
SCHEMBL13453543 0.87 KMT2A (0.85) KMT2AMEN1ALOX12GAAALDH1A1

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