SCHEMBL28459453

SCHEMBL28459453

O=c1c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2sc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIM3 Q86V86 2/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
LIMK1 P53667 2/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
F9 P00740 2/20 0.35
PIK3CA P42336 1/20 0.34
PI4KA P42356 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
APP P05067 1/20 0.34
MEN1 O00255 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL20383994 0.97 KDM4E (0.44) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL20287449 0.91 APP (0.40) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL26835328 0.90 KDM4E (0.53) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL18998371 0.88 PIM3 (0.43) KDM4EALDH1A1MAPTRAB9ATDP1
SCHEMBL18998374 0.85 LIMK1 (0.44) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL16850550 0.85 LIMK1 (0.44) KDM4EALDH1A1MAPTRAB9ATDP1
SCHEMBL18400170 0.85 LIMK1 (0.44) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL5019864 0.84 KDM4E (0.53) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL5019791 0.84 LIMK1 (0.46) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL31124705 0.84 LIMK1 (0.46) KDM4ENPC1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484468-B Compound for preparing organic photoelectric device 烟台显华光电材料研究院有限公司 2023-09-22 CN disclosed
CN-111484468-A Compound for preparing organic photoelectric device 烟台显华光电材料研究院有限公司 2020-08-04 CN disclosed