SCHEMBL2570533

SCHEMBL2570533

COc1ccc(C(OCC(CC(C#N)COP(O)N(C(C)C)C(C)C)OCn2cnc3c(=O)[nH]c(NC(C)=O)nc32)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
PDE3A Q14432 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
VCP P55072 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TYMP P19971 1/20 0.32
TK1 P04183 1/20 0.31
HPRT1 P00492 1/20 0.31
PDE9A O76083 1/20 0.30

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
SCHEMBL2575493 0.83 MEN1 (0.48) MEN1KMT2ATSHRPDE3AALDH1A1
SCHEMBL2570529 0.82 MEN1 (0.40) MEN1KMT2ATSHRTYMPTK1
SCHEMBL14955126 0.80 MEN1 (0.49) MEN1KMT2ATSHRPDE3AALDH1A1
SCHEMBL11206457 0.74 MEN1 (0.45) MEN1KMT2ATSHRPDE3AALDH1A1
SCHEMBL31273993 0.72 KDM4E (0.32) TYMPTK1HPRT1PDE9A
SCHEMBL2577685 0.72 CTSK (0.36) TYMPHPRT1
SCHEMBL27041198 0.71 HPRT1 (0.40) MEN1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL27041171 0.71 HPRT1 (0.40) MEN1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL27041175 0.71 HPRT1 (0.40) MEN1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL10816275 0.71 MEN1 (0.47) MEN1KMT2ATSHRPDE3AALDH1A1

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-2011133876-A2 OLIGONUCLEOTIDES COMPRISING ACYCLIC AND ABASIC NUCLEOSIDES AND ANALOGS ALNYLAM PHARMACEUTICALS, INC. (US) 2011-10-27 WO disclosed