SCHEMBL29826089

SCHEMBL29826089

Brc1cccc(CCc2ccc3[nH]ccc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.58
▸ NR4A2 P43354 2/20 0.58
▸ CYP2A6 P11509 1/20 0.58
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ TAAR1 Q96RJ0 3/20 0.47
▸ BACE1 P56817 1/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ F7 P08709 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ RAD51 Q06609 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL28348288 0.88 GFER (0.47) AHRNR4A2CYP2A6HDAC1HDAC8
SCHEMBL8666600 0.84 HDAC1 (0.55) AHRNR4A2CYP2A6HDAC1HDAC8
SCHEMBL6099420 0.83 NPC1 (0.55) AHRNR4A2CYP2A6HDAC1HDAC8
SCHEMBL16795726 0.78 MAOB (0.60) AHRNR4A2CYP2A6NPC1MAOA
SCHEMBL16808913 0.78 MAOB (0.60) AHRNR4A2CYP2A6MAOAMAOB
SCHEMBL8746143 0.77 SLC6A2 (0.55) TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL12384488 0.77 HDAC1 (0.57) AHRNR4A2CYP2A6HDAC1HDAC8
SCHEMBL4399626 0.76 TAAR1 (0.74) TAAR1BACE1MAOBPARP1
Indole SCHEMBL28703412 0.75 AHR (0.52) AHRNR4A2CYP2A6TAAR1SLC6A2
SCHEMBL74304 0.74 AHR (1.00) AHRNR4A2CYP2A6NPC1F7

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
CN-110713588-B Hardmask composition, hardmask layer and method of forming pattern 三星SDI株式会社 2022-08-09 — — CN disclosed
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