SCHEMBL22912435

SCHEMBL22912435

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc6ccc(-c7nc8ccccc8o7)cc6c45)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
NPC1 O15118 9/20 0.46
ALDH1A1 P00352 9/20 0.46
HPGD P15428 8/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
TP53 P04637 5/20 0.46
MAPT P10636 4/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
GAA P10253 2/20 0.46
STAT1 P42224 2/20 0.46
LMNA P02545 1/20 0.46
GFER P55789 1/20 0.46
HSD17B10 Q99714 5/20 0.42
USP2 O75604 2/20 0.42
HCRTR1 O43613 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL22912427 0.96 KDM4E (0.44) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177147 0.96 KDM4E (0.46) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22178296 0.95 KDM4E (0.45) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177148 0.95 KDM4E (0.45) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177249 0.94 KDM4E (0.44) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177904 0.94 KDM4E (0.44) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177246 0.93 KDM4E (0.43) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177906 0.92 KDM4E (0.43) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177145 0.92 KDM4E (0.43) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177954 0.92 NPC1 (0.43) KDM4ENPC1ALDH1A1HPGDRAB9A

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
US-20210020852-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-21 US disclosed