SCHEMBL17635396

SCHEMBL17635396

CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.54
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 2/20 0.41
CASP2 P42575 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
NAAA Q02083 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL15780068 0.89 DNM1 (0.51) DNM1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL15075280 0.89 DNM1 (0.50) DNM1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL17634939 0.87 TSHR (0.44) DNM1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL25751510 0.83 MEN1 (0.71) DNM1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16384405 0.81 MEN1 (0.68) DNM1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL14493625 0.80 MEN1 (0.55) DNM1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL17371401 0.80 TSHR (0.45) DNM1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL13498474 0.79 TSHR (0.44) DNM1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL22026449 0.79 MEN1 (0.53) TSHRMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL25816699 0.79 MEN1 (0.53) DNM1TSHRMEN1KMT2ASMN1; SMN2

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-9296737-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed