SCHEMBL4625355

SCHEMBL4625355

c1ccc(COc2cccc3ccc(Oc4ccccc4)nc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
CCR6 P51684 1/20 0.50
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.47
MAP4K4 O95819 1/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45

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
SCHEMBL4624910 0.91 KDM4E (0.52) KDM4EMEN1KMT2AMAPTCCR6
SCHEMBL9951781 0.88 MEN1 (0.55) KDM4EMEN1KMT2AMAPTCCR6
SCHEMBL4625554 0.85 MEN1 (0.50) KDM4EMEN1KMT2AMAPTCCR6
SCHEMBL2331163 0.84 MEN1 (0.55) KDM4EMEN1KMT2AMAPTCCR6
SCHEMBL4626663 0.84 HTR1A (0.51) KDM4EMEN1KMT2AMAPTCCR6
SCHEMBL4625314 0.84 HTR1A (0.51) KDM4EMEN1KMT2AMAPTCCR6
SCHEMBL18438857 0.78 MEN1 (0.61) KDM4EMEN1KMT2AMAPTCCR6
SCHEMBL1012890 0.78 NCF1 (0.63) KDM4EMAPTCCR6
SCHEMBL3949886 0.78 MEN1 (0.78) KDM4EMEN1KMT2AMAPTCCR6
SCHEMBL729315 0.78 MEN1 (0.54) KDM4EMEN1KMT2AMAPTCCR6

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-1501801-B1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES UCB PHARMA SA (BE) 2008-01-23 EP claimed