SCHEMBL15548985

SCHEMBL15548985

O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
HDAC3 O15379 3/20 0.65
HDAC1 Q13547 3/20 0.65
HDAC2 Q92769 3/20 0.65
HDAC10 Q969S8 3/20 0.65
HDAC11 Q96DB2 3/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC6 Q9UBN7 3/20 0.65
NCOR2 Q9Y618 3/20 0.65
HDAC4 P56524 2/20 0.65
HDAC9 Q9UKV0 2/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
TAAR1 Q96RJ0 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
OPRD1 P41143 1/20 0.46
F13A1 P00488 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
SCHEMBL6032374 0.91 KMT2A (0.67) KMT2AHDAC3HDAC1HDAC2HDAC10
SCHEMBL31652507 0.86 KMT2A (0.89) KMT2AHDAC3HDAC1HDAC2HDAC10
SCHEMBL8046428 0.85 KMT2A (0.91) KMT2AHDAC3HDAC1HDAC2HDAC10
SCHEMBL17599913 0.85 KMT2A (0.91) KMT2AHDAC3HDAC1HDAC2HDAC10
SCHEMBL29792075 0.84 KMT2A (0.90) KMT2AHTT
SCHEMBL29370234 0.84 KMT2A (0.90) KMT2AHTT
SCHEMBL178801 0.84 KMT2A (0.90) KMT2AHTT
SCHEMBL17599909 0.84 KMT2A (0.69) KMT2AHDAC3HDAC1HDAC2HDAC10
SCHEMBL23270799 0.84 KMT2A (0.62) KMT2AHDAC3HDAC1HDAC2HDAC10
SCHEMBL25834582 0.84 KMT2A (0.56) KMT2AHDAC3HDAC1HDAC2HDAC10

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-2014018913-A2 SANTACRUZAMATE A COMPOSITIONS AND ANALOGS AND METHODS OF USE UNIVERSITY OF CONNECTICUT (US) 2014-01-30 WO disclosed