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Sugi Predict / Compounds / SCHEMBL9970739

SCHEMBL9970739

SCHEMBL9970739

CN(CCCNC(=O)Nc1cccc(Cl)c1)C[C@H]1OC(n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 16/20 0.59
▸ PI4KA P42356 1/20 0.51
▸ PI4K2B Q8TCG2 1/20 0.51
▸ PI4K2A Q9BTU6 1/20 0.51
▸ PI4KB Q9UBF8 1/20 0.51
▸ DNMT1 P26358 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL9936593 1.00 DOT1L (0.59) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL9940452 0.93 DOT1L (0.68) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL15395748 0.93 DOT1L (0.68) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL15389641 0.92 DOT1L (0.63) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL9970642 0.92 DOT1L (0.63) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL9940664 0.91 DOT1L (0.62) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL9942287 0.91 DOT1L (0.60) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL15395713 0.90 DOT1L (0.60) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL9970663 0.90 DOT1L (0.60) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL15389514 0.90 DOT1L (0.60) DOT1LPI4KAPI4K2BPI4K2API4KB

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-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 — — WO disclosed