SCHEMBL8713795

SCHEMBL8713795

Nc1nc(NCCN2CCOCC2)nc(C2CCC(c3nc(N)nc(NCCN4CCOCC4)n3)C(C3CCCCCC3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PIK3CA P42336 7/20 0.36
MTOR P42345 7/20 0.36
TSHR P16473 1/20 0.35
BACE1 P56817 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL8468597 0.85 MEN1 (0.47) MEN1KMT2ACDK1CDK2LMNA
SCHEMBL8523679 0.80 MEN1 (0.44) MEN1KMT2ACDK1CDK2LMNA
SCHEMBL8467788 0.79 MEN1 (0.53) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL8853156 0.79 MEN1 (0.45) MEN1KMT2ACDK1CDK2LMNA
SCHEMBL8853168 0.78 MEN1 (0.57) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL8466273 0.78 MEN1 (0.44) MEN1KMT2ACDK1CDK2LMNA
SCHEMBL8853402 0.76 MEN1 (0.46) MEN1KMT2ACDK1CDK2LMNA
SCHEMBL8852883 0.70 MEN1 (0.53) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL8467230 0.70 MEN1 (0.56) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL2454477 0.68 SMN1; SMN2 (0.54) MEN1KMT2ALMNAKDM4EALDH1A1

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
US-5744504-A AMINO RESIN; THERMOSETTING MOLDING MATERIALS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-04-28 US disclosed