SCHEMBL28536671

SCHEMBL28536671

C#Cc1cccnc1C=O.c1cc2cc-2c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
NFE2L2 Q16236 4/20 0.32
ERN1 O75460 1/20 0.32
CYP2A6 P11509 1/20 0.32
CLK4 Q9HAZ1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL27889923 0.90 TRIM24 (0.38) TRIM24TRIM33NFE2L2ERN1CYP2A6
SCHEMBL10847910 0.78 GRM5 (0.38) CLK4ALDH1A1NPC1POLBRAB9A
SCHEMBL1643517 0.75 MAP4K4 (0.46) CLK4NPC1
SCHEMBL2522839 0.75 TRIM24 (0.35) TRIM24TRIM33CLK4NPC1POLB
SCHEMBL16893634 0.75 CYP11B2 (0.38) CLK4NPC1POLBRAB9A
SCHEMBL1644128 0.75 ESR1 (0.36) CLK4ALDH1A1NPC1POLBRAB9A
SCHEMBL1476394 0.74 TRIM24 (0.43) TRIM24TRIM33NFE2L2ERN1CYP2A6
SCHEMBL3735222 0.73 MEN1 (0.43) TRIM24TRIM33ERN1ALDH1A1NPC1
SCHEMBL4062071 0.72 LRRK2 (0.41) TRIM24TRIM33ALDH1A1NPC1POLB
SCHEMBL1643060 0.71 ALDH1A1 (0.44) CLK4ALDH1A1NPC1POLBRAB9A

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-112358500-A Cu (I) complex luminescent material with high molar absorptivity 江西科技师范大学 2021-02-12 CN disclosed