SCHEMBL5248482

SCHEMBL5248482

CCNC(=O)c1ccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2CSC)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL3116264 0.90 MEN1 (0.58) MEN1KMT2AMAPTTDP1HPGD
SCHEMBL13158518 0.87 MAPT (0.61) MEN1KMT2AMAPTTDP1HPGD
SCHEMBL5245295 0.85 LMNA (0.44) MAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL5244269 0.85 CNR1 (0.49)
SCHEMBL5244456 0.84 LMNA (0.57) MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL5244694 0.84 HPGD (0.48) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL3109229 0.83 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL5249308 0.83 RIPK1 (0.46) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL5246092 0.83 EPHX2 (0.53) MEN1KMT2ANPC1
SCHEMBL5244114 0.83 CCR1 (0.43) MEN1KMT2AMAPTHPGDALDH1A1

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
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP disclosed