SCHEMBL6825934

SCHEMBL6825934

COc1ccc(OC)c(NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC2CCC2)C(C)(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6825108 0.94 NPC1 (0.47) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6822293 0.92 LMNA (0.41) KMT2AMEN1HTTTSHRALDH1A1
SCHEMBL6822139 0.91 KMT2A (0.51) KMT2AMEN1HTTTSHRALDH1A1
SCHEMBL6825396 0.89 KMT2A (0.51) KMT2AMEN1HTTTSHRALDH1A1
SCHEMBL6822282 0.89 ANPEP (0.45) KMT2AMEN1TSHRALDH1A1ALOX15
SCHEMBL6822409 0.87 TDP1 (0.46) KMT2AMEN1TSHRALDH1A1ALOX15
SCHEMBL6825274 0.86 SMN1; SMN2 (0.39) KMT2AMEN1HTTALDH1A1GAA
SCHEMBL6922479 0.84 SMN1; SMN2 (0.39) KMT2AMEN1HTTTSHRALDH1A1
SCHEMBL6921629 0.83 NPC1 (0.48) KMT2AMEN1HTTALDH1A1NPC1
SCHEMBL6825209 0.83 TAS1R3 (0.48) KMT2AMEN1HTTTSHRALDH1A1

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-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed