SCHEMBL2474963

SCHEMBL2474963

COc1ccc(-c2ncc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TUBB4A P04350 2/20 0.52
TUBB P07437 2/20 0.52
TUBA3C P0DPH7 2/20 0.52
TUBA1B P68363 2/20 0.52
TUBA4A P68366 2/20 0.52
TUBB4B P68371 2/20 0.52
TUBB3 Q13509 2/20 0.52
TUBB2A Q13885 2/20 0.52
TUBB8 Q3ZCM7 2/20 0.52
TUBA3E Q6PEY2 2/20 0.52
TUBA1A Q71U36 2/20 0.52
TUBA1C Q9BQE3 2/20 0.52
TUBB6 Q9BUF5 2/20 0.52

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
SCHEMBL2479831 0.91 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMEN1MAPK1
SCHEMBL14973723 0.91 KDM4E (0.47) ALDH1A1KDM4EHPGDMEN1MAPK1
SCHEMBL9971217 0.90 CTDSP1 (0.47) ALDH1A1KDM4EHPGDMEN1MAPK1
SCHEMBL14973646 0.84 KDM4E (0.45) ALDH1A1KDM4EHPGDMEN1MAPK1
SCHEMBL503126 0.84 GABRG2 (0.44) ALDH1A1KDM4EHPGDMEN1MAPK1
SCHEMBL14973495 0.83 KDM4E (0.44) ALDH1A1KDM4EHPGDMEN1MAPK1
SCHEMBL9968554 0.83 KDM4E (0.43) ALDH1A1KDM4EHPGDMAPK1NEK2
SCHEMBL12332919 0.80 PDE5A (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2PDGFRB
SCHEMBL17144935 0.78 KDM4E (0.53) ALDH1A1KDM4EHPGDMEN1MAPK1
SCHEMBL14983287 0.78 FYN (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137869-A1 LUMINOPHORES UNIVERSITY OF YORK (UK) 2013-05-30 US disclosed
EP-2547748-A1 LUMINOPHORES University of York (GB) 2013-01-23 EP disclosed
WO-2011114095-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2011-09-22 WO disclosed