SCHEMBL19662717

SCHEMBL19662717

CNCCCCC(NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.57
▸ MDM2 Q00987 5/20 0.49
▸ TLR2 O60603 4/20 0.49
▸ CPB1 P15086 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47
▸ MDM4 O15151 1/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL26156344 0.95 KMT2A (0.62) KMT2AMDM2TLR2CPB1CPB2
SCHEMBL26156345 0.93 KMT2A (0.64) KMT2AMDM2TLR2MDM4TP53
SCHEMBL16925664 0.93 KMT2A (0.64) KMT2AMDM2TLR2MDM4TP53
SCHEMBL16592017 0.91 KMT2A (0.58) KMT2AMDM2TLR2
SCHEMBL14147622 0.91 MDM2 (0.57) KMT2AMDM2TLR2MDM4TP53
SCHEMBL14770861 0.91 MDM2 (0.57) KMT2AMDM2TLR2MDM4TP53
Hydrochloric Acid SCHEMBL30744256 0.90 MDM2 (0.56) KMT2AMDM2TLR2MDM4TP53
SCHEMBL260631 0.89 KMT2A (0.66) KMT2AMDM2TLR2MDM4TP53
SCHEMBL178698 0.89 KMT2A (0.66) KMT2AMDM2TLR2MDM4TP53
SCHEMBL29528567 0.89 KMT2A (0.66) KMT2AMDM2TLR2MDM4TP53

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-2017205336-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-30 — — WO disclosed
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