SCHEMBL18501063

SCHEMBL18501063

NC(=O)CCCCCNC(=O)OC1Cc2ccccc2C#Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
DRD3 P35462 2/20 0.38
HTR2C P28335 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PREP P48147 2/20 0.34
NAMPT P43490 3/20 0.34
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
MTNR1A P48039 1/20 0.32

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
SCHEMBL12286069 0.92 KMT2A (0.48) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL12285877 0.91 HDAC3 (0.40) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL16895236 0.90 DRD3 (0.38) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL12288689 0.90 LMNA (0.41) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL10283653 0.88 HDAC3 (0.40) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL10295062 0.87 DRD3 (0.40) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL12325479 0.85 DRD3 (0.35) KMT2ADRD3MTNR1AMTNR1B
SCHEMBL15801453 0.83 SMN1; SMN2 (0.39) DRD3NAMPTMTNR1AMTNR1B
SCHEMBL18588545 0.83 HTT (0.40) DRD3MTNR1AMTNR1BBCHEACHE
SCHEMBL12284112 0.81 EGFR (0.33)

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-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed