SCHEMBL30963689

SCHEMBL30963689

Cc1cccc2c(Br)c[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.55
▸ TRIM33 Q9UPN9 1/20 0.55
▸ BRPF1 P55201 1/20 0.53
▸ AR P10275 6/20 0.53
▸ HTR2A P28223 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NR4A2 P43354 1/20 0.49
▸ SOS2 Q07890 1/20 0.49
▸ AHR P35869 1/20 0.44
▸ KIF11 P52732 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ AXL P30530 1/20 0.41
▸ PCSK9 Q8NBP7 1/20 0.41

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
SCHEMBL12900254 1.00 TRIM24 (0.55) TRIM24TRIM33BRPF1ARHTR2A
SCHEMBL2143637 0.80 TRIM24 (0.60) TRIM24TRIM33BRPF1ARHTR2A
SCHEMBL31607554 0.80 TRIM24 (0.60) TRIM24TRIM33BRPF1ARHTR2A
SCHEMBL31302783 0.75 TRIM24 (0.55) TRIM24TRIM33BRPF1ARHTR2A
SCHEMBL19518384 0.75 TRIM24 (0.55) TRIM24TRIM33BRPF1ARHTR2A
SCHEMBL21623871 0.75 BRPF1 (0.58) TRIM24TRIM33BRPF1ARHTR2A
SCHEMBL17150712 0.75 TRIM24 (0.55) TRIM24TRIM33BRPF1ARHTR2A
SCHEMBL12865280 0.75 TRIM24 (0.55) TRIM24TRIM33BRPF1ARHTR2A
SCHEMBL31049280 0.75 HTR2A (0.56) TRIM24TRIM33BRPF1ARHTR2A
SCHEMBL23658612 0.75 GPR84 (0.58) DYRK1AAXLPCSK9

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-118221684-A Method for preparing quinoxaline derivative through HFIP-promoted defluorination cyclization reaction of difluoro carbene reagent 陕西科技大学 2024-06-21 — — CN disclosed
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