SCHEMBL28502903

SCHEMBL28502903

CC(C)Cn1cnc(Br)c1-c1c[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ LMNA P02545 4/20 0.40
▸ TLR7 Q9NYK1 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ NUDT1 P36639 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 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
SCHEMBL28508739 0.85 MDM4 (0.47) HTR7HTR6MDM4TP53MDM2
SCHEMBL28503037 0.84 HTR7 (0.48) HTR7HTR6MDM4TP53MDM2
SCHEMBL28505050 0.81 NPC1 (0.46) HTR7HTR6MDM4TP53MDM2
SCHEMBL28508740 0.81 TP53 (0.52) HTR7HTR6MDM4TP53MDM2
SCHEMBL28500486 0.81 PRKACA (0.49) HTR7HTR6MDM4TP53MDM2
SCHEMBL28507696 0.80 SMN1; SMN2 (0.48) HTR7HTR6MDM4TP53MDM2
SCHEMBL28506801 0.80 TP53 (0.48) HTR7HTR6MDM4TP53MDM2
SCHEMBL28904632 0.78 MDM2 (0.60) HTR7HTR6MDM4TP53MDM2
SCHEMBL28497886 0.77 LMNA (0.40) HTR7HTR6MDM4TP53MDM2
SCHEMBL28503127 0.77 MDM4 (0.48) HTR7HTR6MDM4TP53MDM2

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-112174937-B 3- (5-imidazolyl) indole compound and preparation method and application thereof 南京农业大学 2022-06-03 — — CN disclosed
CN-112174937-A 3- (5-imidazolyl) indole compound and preparation method and application thereof 南京农业大学 2021-01-05 — — CN disclosed
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