SCHEMBL4717640

SCHEMBL4717640

Nc1ccc(Oc2cc[c]cc2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
POLB P06746 2/20 0.58
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 3/20 0.53
BRCA1 P38398 1/20 0.53
HBB P68871 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KEAP1 Q14145 1/20 0.45
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APAF1 O14727 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
BCAT2 O15382 1/20 0.34
HSPB1 P04792 1/20 0.34
LTA4H P09960 1/20 0.33

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
SCHEMBL20931746 0.84 KDM4E (0.79) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL1002115 0.81 KDM4E (0.68) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL31674507 0.81 KDM4E (0.68) KDM4EMEN1KMT2APOLBRAB9A
Hydrochloric Acid SCHEMBL8330166 0.79 KDM4E (0.66) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL4059342 0.78 KDM4E (0.69) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL2721244 0.78 KDM4E (1.00) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL693992 0.78 THRB (0.41) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL8736385 0.78 KDM4E (0.69) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL6325952 0.78 KDM4E (0.69) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL693225 0.78 LIPE (0.45) KDM4EMEN1KMT2APOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
EP-1066261-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP disclosed
WO-1999048871-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-09-30 WO disclosed