SCHEMBL2570529

SCHEMBL2570529

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
TYMP P19971 1/20 0.33
TK1 P04183 1/20 0.32
PDE9A O76083 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
SCHEMBL2570533 0.82 MEN1 (0.39) MEN1TSHRKMT2ATYMPTK1
SCHEMBL14955126 0.77 MEN1 (0.49) MEN1TSHRKMT2ATYMPTK1
SCHEMBL2575493 0.76 MEN1 (0.48) MEN1TSHRKMT2ATYMPTK1
SCHEMBL16360371 0.69 TYMP (0.39) TYMPTK1PDE9A
SCHEMBL29154414 0.69 MEN1 (0.48) MEN1TSHRKMT2ATK1
SCHEMBL29154417 0.69 MEN1 (0.48) MEN1TSHRKMT2ATK1
SCHEMBL27041198 0.68 HPRT1 (0.40) MEN1TSHRKMT2ATYMPTK1
SCHEMBL27041175 0.68 HPRT1 (0.40) MEN1TSHRKMT2ATYMPTK1
SCHEMBL27041171 0.68 HPRT1 (0.40) MEN1TSHRKMT2ATYMPTK1
SCHEMBL31273993 0.67 KDM4E (0.32) TYMPTK1PDE9A

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