SCHEMBL3397523

SCHEMBL3397523

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(NCc3ccccc3)cc2)NC(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
PDE1C Q14123 2/20 0.51
TP53 P04637 4/20 0.50
THRB P10828 1/20 0.50
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL3395695 0.89 MEN1 (0.59) MEN1KMT2APDE1CTP53GAA
SCHEMBL3435815 0.87 MEN1 (0.60) MEN1KMT2APDE1CTP53GAA
SCHEMBL3398047 0.86 MEN1 (0.60) MEN1KMT2APDE1CTP53GAA
SCHEMBL3398315 0.85 MEN1 (0.58) MEN1KMT2APDE1CTP53GAA
SCHEMBL13425374 0.85 MEN1 (0.55) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3392870 0.85 MEN1 (0.57) MEN1KMT2APDE1CTP53GAA
SCHEMBL3398137 0.84 MAPK1 (0.64) MEN1KMT2APDE1CTP53GAA
SCHEMBL3395563 0.84 MEN1 (0.56) MEN1KMT2APDE1CTP53GAA
SCHEMBL13425669 0.83 MEN1 (0.57) MEN1KMT2APDE1CTP53GAA
SCHEMBL3399280 0.83 MEN1 (0.61) MEN1KMT2APDE1CTP53GAA

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed