SCHEMBL5794529

SCHEMBL5794529

COc1cc2c(-c3cc(CCl)cn3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
HTR6 P50406 3/20 0.38
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
BRD4 O60885 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
IGF1R P08069 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
STAT3 P40763 1/20 0.35
ALK Q9UM73 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALOX12 P18054 1/20 0.35
NTSR1 P30989 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL5796689 0.88 TP53 (0.45) TP53HTR6TRIM24TRIM33BRD4
SCHEMBL5795324 0.86 TP53 (0.42) TP53HTR6BRD4L3MBTL1IGF1R
SCHEMBL5793855 0.83 TP53 (0.39) TP53HTR6TRIM24TRIM33BRD4
SCHEMBL5793330 0.81 TP53 (0.43) TP53HTR6TRIM24TRIM33BRD4
SCHEMBL5795079 0.81 TP53 (0.39) TP53HTR6TRIM24TRIM33BRD4
SCHEMBL5797982 0.81 SRD5A1 (0.39) TP53HTR6TRIM24TRIM33BRD4
SCHEMBL5794969 0.80 TP53 (0.38) TP53HTR6TRIM24TRIM33BRD4
SCHEMBL5794582 0.79 TP53 (0.39) TP53HTR6TRIM24TRIM33BRD4
SCHEMBL5795308 0.79 TP53 (0.39) TP53HTR6TRIM24TRIM33BRD4
SCHEMBL5794832 0.78 TP53 (0.48) TP53HTR6TRIM24TRIM33BRD4

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