SCHEMBL5795360

SCHEMBL5795360

COc1cc2c(-c3cccn3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OCCOC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
IGF1R P08069 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
HTR6 P50406 5/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
ALOX5 P09917 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 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
SCHEMBL5797263 0.90 TP53 (0.39) TP53IGF1RTRIM24TRIM33RAPGEF4
SCHEMBL5794582 0.88 TP53 (0.39) TP53IGF1RTRIM24TRIM33RAPGEF4
SCHEMBL5795308 0.88 TP53 (0.39) TP53IGF1RTRIM24TRIM33RAPGEF4
SCHEMBL5794793 0.88 TP53 (0.39) TP53IGF1RTRIM24TRIM33RAPGEF4
SCHEMBL5795812 0.88 TP53 (0.39) TP53IGF1RTRIM24TRIM33RAPGEF4
SCHEMBL5793330 0.87 TP53 (0.43) TP53IGF1RTRIM24TRIM33RAPGEF4
SCHEMBL5795269 0.87 MEN1 (0.40) TP53IGF1RTRIM24TRIM33RAPGEF4
SCHEMBL5795248 0.83 SRD5A1 (0.41) TP53IGF1RTRIM24TRIM33RAPGEF4
SCHEMBL5794232 0.83 BRD4 (0.42) HTR6KMT2AGAAHPGDALDH1A1
SCHEMBL5797613 0.82 RAPGEF4 (0.39) TP53IGF1RTRIM24TRIM33RAPGEF4

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
EP-1732546-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 EP disclosed
WO-2005095399-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-10-13 WO disclosed