SCHEMBL14973646

SCHEMBL14973646

COc1ccc(-c2ncc(-c3ccc(OC)c(OC)c3OC)nn2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
FYN P06241 2/20 0.41
SLC10A2 Q12908 2/20 0.41
KIT P10721 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
TUBB4A P04350 1/20 0.40

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
SCHEMBL14973495 0.90 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL12332921 0.89 FYN (0.39) KDM4ESMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL2474963 0.84 ALDH1A1 (0.54) KDM4ESMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL2479831 0.84 ALDH1A1 (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL14983297 0.82 PDE5A (0.42) KDM4ESMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL14629856 0.77 FYN (0.52) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL9971217 0.74 CTDSP1 (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL14973723 0.74 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL14983287 0.72 FYN (0.44) KDM4ESMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL12332919 0.71 PDE5A (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137869-A1 LUMINOPHORES UNIVERSITY OF YORK (UK) 2013-05-30 US disclosed
US-20130137869-A1 LUMINOPHORES UNIVERSITY OF YORK (UK) 2013-05-30 US disclosed