SCHEMBL3433683

SCHEMBL3433683

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OC(=O)c3cccnc3)cc2)NC(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
MEN1 O00255 3/20 0.52
PDE1C Q14123 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADORA2B P29275 4/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13425511 1.00 KMT2A (0.52) KMT2AMEN1PDE1CTP53GAA
SCHEMBL3395889 0.91 PDE1C (0.57) KMT2AMEN1PDE1CTP53GAA
SCHEMBL3395894 0.91 PDE1C (0.57) KMT2AMEN1PDE1CTP53GAA
SCHEMBL3395469 0.91 KMT2A (0.54) KMT2AMEN1PDE1CTP53GAA
SCHEMBL3395472 0.91 KMT2A (0.54) KMT2AMEN1PDE1CTP53GAA
SCHEMBL13426218 0.90 KMT2A (0.56) KMT2AMEN1PDE1CTP53GAA
SCHEMBL13426144 0.87 PDE1C (0.51) KMT2AMEN1PDE1CTP53GAA
SCHEMBL3395367 0.85 KMT2A (0.59) KMT2AMEN1PDE1CTP53GAA
SCHEMBL3395365 0.85 KMT2A (0.59) KMT2AMEN1PDE1CTP53GAA
SCHEMBL13425517 0.82 PDE1C (0.59) KMT2AMEN1PDE1CTP53GAA

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