SCHEMBL2448859

SCHEMBL2448859

COc1ccc(-c2ccc(-c3cc(OC)c(OC)c(OC)c3)cn2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.58
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
BRD4 O60885 2/20 0.51
FYN P06241 7/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
CHEK2 O96017 2/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48

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
SCHEMBL17144935 0.94 KDM4E (0.53) KITKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL2448017 0.92 FYN (0.53) KITBRD4FYNCHEK2GAK
SCHEMBL14974281 0.90 PDGFRB (0.58) KITKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL9971233 0.89 FYN (0.52) KITBRD4FYNCHEK2GAK
SCHEMBL502835 0.86 FYN (0.56) KDM4EALDH1A1SMN1; SMN2MEN1HPGD
SCHEMBL13881650 0.84 TSHR (0.52) KITKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL14629856 0.83 FYN (0.52) KITKDM4EALDH1A1SMN1; SMN2FYN
SCHEMBL502772 0.83 FYN (0.47) KITBRD4FYNCHEK2GAK
SCHEMBL9968588 0.83 FYN (0.47) KITKDM4EALDH1A1HPGDBRD4
SCHEMBL9968558 0.82 BRD4 (0.47) KITBRD4FYNMAP3K11

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