SCHEMBL20833441

SCHEMBL20833441

CO[C@@H](CCn1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21)COP(OCCC#N)N(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HPRT1 P00492 3/20 0.35
▸ NOS1 P29475 1/20 0.33
▸ TK1 P04183 1/20 0.33

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
SCHEMBL20833449 1.00 KDM4E (0.39) KDM4EMEN1TSHRKMT2AHPRT1
SCHEMBL22399679 0.80 KDM4E (0.37) KDM4EMEN1TSHRKMT2A
SCHEMBL25605598 0.80 KDM4E (0.37) KDM4EMEN1TSHRKMT2A
SCHEMBL22759957 0.80 KDM4E (0.37) KDM4EMEN1TSHRKMT2AHPRT1
SCHEMBL23487511 0.79 MEN1 (0.46) KDM4EMEN1TSHRKMT2ATK1
SCHEMBL22907647 0.79 MEN1 (0.42) KDM4EMEN1TSHRKMT2AHPRT1
SCHEMBL20833137 0.78 — —
SCHEMBL21376542 0.77 KDM4E (0.49) KDM4EMEN1TSHRKMT2A
SCHEMBL19146388 0.77 KDM4E (0.49) KDM4EMEN1TSHRKMT2A
SCHEMBL24197308 0.77 KDM4E (0.49) KDM4EMEN1TSHRKMT2A

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-2019053659-A1 MODIFIED NUCLEOSIDE PHOSPHORAMIDITES ALIOS BIOPHARMA, INC. (US) 2019-03-21 — — WO disclosed
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