SCHEMBL6831395

SCHEMBL6831395

CNCCOCCNC(=O)C1Cc2ccccc2CN1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
CXCR3 P49682 3/20 0.48
BLM P54132 1/20 0.47
POLB P06746 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
HDAC8 Q9BY41 3/20 0.45
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42

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
SCHEMBL7995096 0.80 KMT2A (0.71) KMT2AMEN1CXCR3BLMPOLB
SCHEMBL6937981 0.80 KMT2A (0.71) KMT2AMEN1CXCR3BLMPOLB
SCHEMBL13073431 0.78 KMT2A (0.85) KMT2AMEN1CXCR3BLMPOLB
SCHEMBL19972744 0.78 KMT2A (0.85) KMT2AMEN1CXCR3BLMPOLB
SCHEMBL8268852 0.77 KMT2A (0.56) KMT2AMEN1CXCR3BLMPOLB
SCHEMBL6368964 0.75 KMT2A (0.64) KMT2AMEN1CXCR3BLMPOLB
SCHEMBL6240572 0.74 KMT2A (0.70) KMT2AMEN1CXCR3BLMPOLB
Hydrochloric Acid SCHEMBL4786521 0.73 KMT2A (0.73) KMT2AMEN1CXCR3BLMPOLB
SCHEMBL27470508 0.72 KMT2A (0.57) KMT2AMEN1CXCR3BLMPOLB
SCHEMBL14159523 0.71 BLM (0.63) KMT2AMEN1CXCR3BLMPOLB

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
US-6770656-B2 NEURODEGENERATIVE DISORDERS; ANTIEPILEPTIC AND ANTIISCHEMIC AGENTS; INFERTILITY, CARDIOVASCULAR DISORDERS, RENAL HYPOXIA, HEPATITIS AND AIDS TREATMENT APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2004-08-03 US disclosed