SCHEMBL30733943

SCHEMBL30733943

c1ccc2c(c1)c1ccccc1c1ncccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 2/20 0.54
PARP1 P09874 4/20 0.52
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
CCR1 P32246 3/20 0.50
CCR8 P51685 3/20 0.50
HTT P42858 2/20 0.50
CYP3A4 P08684 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
MMP2 P08253 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL15374722 1.00 HSP90AA1 (0.56) HSP90AA1L3MBTL1NPC1ALDH1A1PARP1
SCHEMBL422507 1.00 HSP90AA1 (0.56) HSP90AA1L3MBTL1NPC1ALDH1A1PARP1
Ammonia Solution, Strong SCHEMBL27667853 0.97 HSP90AA1 (0.54) HSP90AA1L3MBTL1NPC1ALDH1A1PARP1
SCHEMBL5470672 0.97 HSP90AA1 (0.59) HSP90AA1L3MBTL1NPC1ALDH1A1PARP1
SCHEMBL17523388 0.94 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1ALDH1A1PARP1
SCHEMBL4993117 0.94 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1ALDH1A1PARP1
SCHEMBL5473648 0.94 HSP90AA1 (0.62) HSP90AA1L3MBTL1NPC1ALDH1A1PARP1
SCHEMBL17542434 0.90 CYP3A4 (0.59) HSP90AA1L3MBTL1NPC1ALDH1A1PARP1
SCHEMBL21298321 0.87 HSP90AA1 (0.50) HSP90AA1L3MBTL1NPC1ALDH1A1PARP1
SCHEMBL1254209 0.87 DHFR (0.56) HSP90AA1L3MBTL1NPC1ALDH1A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683625-B Metal-assisted delayed fluorescence emitters for organic light emitting diodes 亚利桑那州立大学董事会 2025-06-10 CN disclosed
CN-117467119-A Ionic aza-benzophenanthrene copolymer elastomer and preparation method thereof 四川师范大学 2024-01-30 CN disclosed
CN-117467119-A Ionic aza-benzophenanthrene copolymer elastomer and preparation method thereof 四川师范大学 2024-01-30 CN disclosed
CN-117467119-A Ionic aza-benzophenanthrene copolymer elastomer and preparation method thereof 四川师范大学 2024-01-30 CN disclosed