SCHEMBL28506801

SCHEMBL28506801

Cc1ccc(Cn2cnc(Br)c2-c2c[nH]c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.48
▸ MDM4 O15151 1/20 0.48
▸ MDM2 Q00987 1/20 0.48
▸ SMN1; SMN2 Q16637 8/20 0.46
▸ HTT P42858 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ HTR7 P34969 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ BCL2 P10415 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ HTR1A P08908 2/20 0.39

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
SCHEMBL28508740 0.90 TP53 (0.52) TP53MDM4MDM2SMN1; SMN2HTT
SCHEMBL28904632 0.89 MDM2 (0.60) TP53MDM4MDM2SMN1; SMN2HTT
SCHEMBL28503127 0.88 MDM4 (0.48) TP53MDM4MDM2SMN1; SMN2HTT
SCHEMBL28495988 0.88 HTR1A (0.51) TP53MDM4MDM2SMN1; SMN2LMNA
SCHEMBL28505102 0.88 CYP11B1 (0.49) TP53MDM4MDM2SMN1; SMN2HTT
SCHEMBL28514431 0.87 TP53 (0.52) TP53MDM4MDM2SMN1; SMN2HTT
SCHEMBL28497091 0.85 MDM4 (0.46) TP53MDM4MDM2HTR7HTR6
SCHEMBL28507696 0.84 SMN1; SMN2 (0.48) TP53MDM4MDM2SMN1; SMN2HTT
SCHEMBL28499278 0.82 KDM4E (0.50) TP53MDM4MDM2SMN1; SMN2HTT
SCHEMBL28503037 0.81 HTR7 (0.48) TP53MDM4MDM2SMN1; SMN2HTT

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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