SCHEMBL7280127

SCHEMBL7280127

O=Cc1cccnc1Nc1ccc(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ERN1 O75460 3/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GRM4 Q14833 4/20 0.34
▸ BRAF P15056 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL7276191 0.82 MAPT (0.57) TRIM24TRIM33MAPTHTTDHODH
SCHEMBL9402417 0.81 GRM4 (0.43) TRIM24TRIM33MAPTHTTERN1
SCHEMBL10678813 0.81 MAPK14 (0.46) TRIM24TRIM33MAPTHTTDHODH
SCHEMBL10682704 0.77 ERN1 (0.43) TRIM24TRIM33MAPTHTTERN1
SCHEMBL16627420 0.76 ALDH1A1 (0.44) TRIM24TRIM33MAPTHTTALDH1A1
SCHEMBL28824960 0.74 MAPT (0.71) MAPTHTTDHODHALDH1A1KMT2A
SCHEMBL29898295 0.74 MAPT (0.71) MAPTHTTDHODHALDH1A1KMT2A
SCHEMBL9402324 0.74 DHODH (0.57) TRIM24TRIM33MAPTDHODHKMT2A
SCHEMBL16627413 0.73 RAB9A (0.62) TRIM24TRIM33MAPTDHODHALDH1A1
SCHEMBL1376342 0.71 DHODH (0.56) TRIM24TRIM33MAPTHTTDHODH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5214055-A Analgesics, psychological disorders, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-05-25 — — US disclosed
US-5189045-A Antiserotonine agent ADIR ET COMPAGNIE (FR) 1993-02-23 — — US disclosed
EP-0457686-A1 Novel aminopiperidine, aminopyrrolidine and aminoperhydroazepine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-11-21 — — EP disclosed
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