SCHEMBL6426568

SCHEMBL6426568

COC(=O)NCCC(=O)Nc1cnn(C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.35
LPAR1 Q92633 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NTRK1 P04629 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL5494715 0.90 ITGB3 (0.36) KMT2AKDM4ELMNAALDH1A1NTRK1
SCHEMBL6425375 0.89 LPAR1 (0.36) MEN1KMT2AL3MBTL1LPAR1LMNA
SCHEMBL27620815 0.85 CYP3A4 (0.44)
SCHEMBL5496615 0.84 HDAC1 (0.40) HDAC3HDAC1
SCHEMBL5496538 0.83 HDAC3 (0.43) HDAC3HDAC1
SCHEMBL27620832 0.83 CETP (0.44) KMT2AL3MBTL1KDM4ELMNAALDH1A1
SCHEMBL5500962 0.82 ADRA2C (0.39) LPAR1NTRK1
SCHEMBL3111828 0.82 NTRK1 (0.36) KMT2ALPAR1LMNANTRK1
SCHEMBL6425423 0.82 HPGD (0.40) MEN1KMT2AL3MBTL1KDM4ELMNA
SCHEMBL27641152 0.82 SOAT1 (0.46) KMT2AKDM4ELMNAALDH1A1NPSR1

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-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 WO disclosed