SCHEMBL4561846

SCHEMBL4561846

CCON(C(=O)OC(C(=O)O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)N(CC)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNMT Q14749 1/20 0.54
AHCY P23526 3/20 0.52
WDR5 P61964 4/20 0.48
KMT2A Q03164 4/20 0.48
RBBP5 Q15291 4/20 0.48
DPY30 Q9C005 4/20 0.48
ASH2L Q9UBL3 4/20 0.48
DOT1L Q8TEK3 2/20 0.48
HSP90B1 P14625 1/20 0.47
NNMT P40261 3/20 0.47
SMYD3 Q9H7B4 1/20 0.47
SETD2 Q9BYW2 1/20 0.47
EZH2 Q15910 1/20 0.47
BCDIN3D Q7Z5W3 1/20 0.46
SMYD2 Q9NRG4 1/20 0.46
PRMT7 Q9NVM4 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
SCHEMBL4561351 0.86 GNMT (0.59) GNMTAHCYWDR5KMT2ARBBP5
SCHEMBL11134096 0.75 AHCY (0.64) AHCYKMT2ADOT1LHSP90B1
SCHEMBL8982539 0.72 AHCY (0.65) GNMTAHCYWDR5KMT2ARBBP5
SCHEMBL11420645 0.72 AHCY (0.73) AHCYDOT1LHSP90B1
SCHEMBL11420629 0.72 AHCY (0.73) AHCYDOT1LHSP90B1
SCHEMBL11703003 0.72 AHCY (0.62) GNMTAHCYWDR5KMT2ARBBP5
SCHEMBL4192540 0.71 AHCY (0.66) AHCYKMT2ADOT1L
SCHEMBL6402599 0.71 AHCY (0.62) AHCYKMT2AHSP90B1
SCHEMBL10579688 0.71 AHCY (0.63) AHCYKMT2AHSP90B1
SCHEMBL8461385 0.71 AHCY (0.51) GNMTAHCYWDR5KMT2ARBBP5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed