SCHEMBL18601428

SCHEMBL18601428

O=C(Cc1ccccc1)Nc1ccc(C(=O)NCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.68
MEN1 O00255 5/20 0.68
EPHX2 P34913 1/20 0.65
HDAC2 Q92769 4/20 0.62
HDAC8 Q9BY41 4/20 0.62
HDAC6 Q9UBN7 4/20 0.62
HDAC3 O15379 3/20 0.62
HDAC1 Q13547 3/20 0.62
RAB9A P51151 2/20 0.62
HDAC4 P56524 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
NPC1 O15118 1/20 0.62
POLB P06746 3/20 0.62
KDM4E B2RXH2 1/20 0.61
HTT P42858 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL17744942 0.86 HDAC6 (0.68) EPHX2HDAC2HDAC8HDAC6HDAC3
SCHEMBL675578 0.84 KMT2A (0.76) KMT2AMEN1EPHX2HDAC2HDAC8
SCHEMBL22664681 0.84 HDAC1 (0.69) KMT2AMEN1HDAC2HDAC8HDAC6
SCHEMBL11900090 0.83 HDAC6 (0.85) EPHX2HDAC2HDAC8HDAC6HDAC3
SCHEMBL14811272 0.83 HDAC6 (0.78) KMT2AMEN1EPHX2HDAC2HDAC8
SCHEMBL22196106 0.83 KMT2A (0.78) KMT2AMEN1EPHX2HDAC2HDAC8
SCHEMBL18275331 0.83 RORC (0.57) KMT2AMEN1HDAC3POLBKDM4E
SCHEMBL7097847 0.82 EPHX2 (0.76) KMT2AMEN1EPHX2HDAC2HDAC8
SCHEMBL22664696 0.81 MEN1 (0.74) KMT2AMEN1HDAC2HDAC8HDAC6
SCHEMBL29246754 0.81 EPHX2 (0.73) KMT2AMEN1EPHX2HDAC2HDAC8

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
EP-2713722-B1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS RECEPTOS LLC (US) 2017-03-15 EP disclosed