SCHEMBL16889235

SCHEMBL16889235

c1ccc(-c2cccc3c2Oc2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc4c2B3c2cccc(-c3ccccc3)c2O4)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC4 P56524 1/20 0.33
EDNRA P25101 2/20 0.32
EDNRB P24530 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
BRCA1 P38398 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL17013580 0.96 KDM4E (0.34) KDM4EATML3MBTL1HDAC4EDNRA
SCHEMBL16889557 0.92 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL16889322 0.91 KDM4E (0.37) KDM4EATML3MBTL1KMT2AHSD17B10
SCHEMBL16889543 0.89 MAPK14 (0.35) KDM4EALDH1A1
SCHEMBL16890840 0.89 KDM4E (0.33) KDM4EATML3MBTL1HDAC4
SCHEMBL17013581 0.89 KDM4E (0.33) KDM4EATML3MBTL1HDAC4
SCHEMBL16889231 0.89
SCHEMBL20375705 0.87 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16890841 0.87 KDM4E (0.37) KDM4EATML3MBTL1HDAC4KMT2A
SCHEMBL16889416 0.86 KDM4E (0.36) KDM4EATML3MBTL1HDAC4

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
WO-2015102118-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2015-07-09 WO disclosed