SCHEMBL4625554

SCHEMBL4625554

COc1ccccc1Oc1ccc2cccc(OCc3ccccc3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
HTR1A P08908 3/20 0.50
ADRA1D P25100 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRA1B P35368 3/20 0.50
CCR6 P51684 1/20 0.50
APP P05067 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
RXRA P19793 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4625314 0.91 HTR1A (0.51) MEN1KMT2AKDM4EMAPTHTR1A
SCHEMBL2331163 0.89 MEN1 (0.55) MEN1KMT2AKDM4EMAPTHTR1A
SCHEMBL4625355 0.85 KDM4E (0.50) MEN1KMT2AKDM4EMAPTHTR1A
SCHEMBL9951781 0.84 MEN1 (0.55) MEN1KMT2AKDM4EMAPTCCR6
SCHEMBL4626663 0.81 HTR1A (0.51) MEN1KMT2AKDM4EMAPTHTR1A
SCHEMBL4624910 0.80 KDM4E (0.52) MEN1KMT2AKDM4EMAPTCCR6
SCHEMBL3949886 0.77 MEN1 (0.78) MEN1KMT2AKDM4EMAPTCCR6
SCHEMBL4625590 0.76 MEN1 (0.56) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL3318154 0.76 PDGFRB (0.52) MEN1KMT2AKDM4EMAPTHTR1A
SCHEMBL9951909 0.75 MEN1 (0.55) MEN1KMT2AKDM4EMAPTCCR6

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