SCHEMBL4442008

SCHEMBL4442008

COC(=O)C1CCC(C(=O)C2CCC(c3ccc(NC(=O)Nc4cc(C)ccc4OC)cc3)CC2)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.53
MAPT P10636 7/20 0.53
MEN1 O00255 7/20 0.53
TP53 P04637 2/20 0.53
GAA P10253 2/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CASP3 P42574 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
IDO1 P14902 1/20 0.43
NTRK1 P04629 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
SCHEMBL3298943 0.88 KMT2A (0.62) KMT2AMAPTMEN1TP53GAA
SCHEMBL3298938 0.88 KMT2A (0.62) KMT2AMAPTMEN1TP53GAA
SCHEMBL4449463 0.85 KMT2A (0.48) KMT2AMAPTMEN1TP53GAA
SCHEMBL3298768 0.83 KMT2A (0.63) KMT2AMAPTMEN1TP53GAA
SCHEMBL3298762 0.83 KMT2A (0.63) KMT2AMAPTMEN1TP53GAA
SCHEMBL14113558 0.83 KMT2A (0.63) KMT2AMAPTMEN1TP53GAA
SCHEMBL14113546 0.81 KMT2A (0.65) KMT2AMAPTMEN1TP53GAA
SCHEMBL3298501 0.81 ALDH1A1 (0.57) KMT2AMAPTMEN1TP53GAA
SCHEMBL3298508 0.81 ALDH1A1 (0.57) KMT2AMAPTMEN1TP53GAA
SCHEMBL5462493 0.80 KMT2A (0.63) KMT2AMAPTMEN1TP53GAA

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
EP-2120911-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES Prosidion Limited (GB) 2009-11-25 EP disclosed
WO-2008099221-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2008-08-21 WO disclosed