SCHEMBL20656244

SCHEMBL20656244

CCN(CCN1CCN(CCN2CCNC2=O)C1=O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.38
KDR P35968 1/20 0.38
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
OPRM1 P35372 2/20 0.33
SCN9A Q15858 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CREBBP Q92793 1/20 0.31
FAAH O00519 1/20 0.31
NAAA Q02083 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12643450 0.84 RET (0.46) RETKDRKMT2ARAB9AALDH1A1
SCHEMBL20656240 0.75 DPP4 (0.35) KMT2A
SCHEMBL16868840 0.75 RET (0.46) RETKDRKMT2ARAB9AALDH1A1
SCHEMBL16868841 0.72 RET (0.41) RETKDRKMT2ARAB9AALDH1A1
SCHEMBL23338509 0.72 KMT2A (0.39) RETKDRKMT2ARAB9AALDH1A1
SCHEMBL20656243 0.72 SCN9A (0.40) RETKDRKMT2ARAB9AALDH1A1
SCHEMBL20646738 0.72 RET (0.51) RETKDRKMT2ARAB9AALDH1A1
SCHEMBL15167200 0.71 RET (0.40) RETKDRKMT2ARAB9AALDH1A1
SCHEMBL15167199 0.71 RET (0.40) RETKDRKMT2ARAB9AALDH1A1
SCHEMBL13450908 0.70 RET (0.43) RETKDRKMT2ARAB9AALDH1A1

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-2019011708-A1 PROCESS FOR MAKING HIGHER ETHYLENE AMINES AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2019-01-17 WO disclosed