SCHEMBL5019874

SCHEMBL5019874

C=CC1=C(C=C)C2(c3ccccc31)c1ccccc1-c1ccc(-c3ccc4sc5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c(=O)c4c3)cc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5019896 0.86 KDM4E (0.42) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL5019774 0.79 KDM4E (0.46) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL10018845 0.78 PDK2 (0.40)
SCHEMBL18086216 0.74 GPR3 (0.42) ALDH1A1MAPTRAB9ATDP1L3MBTL1
SCHEMBL19752428 0.74 KDM4E (0.36) KDM4EMAPT
SCHEMBL19152014 0.74 MEN1 (0.38) KDM4EALDH1A1MAPTTDP1
SCHEMBL5019792 0.74 KDM4E (0.40) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL13443699 0.73 GPR3 (0.41) ALDH1A1MAPTRAB9ATDP1L3MBTL1
SCHEMBL22435826 0.72 KDM4E (0.37) KDM4EMAPTTDP1
SCHEMBL14101564 0.71 PDK2 (0.35)

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-2012063751-A1 THIOXANTHONE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-05-18 WO disclosed