SCHEMBL5797982

SCHEMBL5797982

COc1cc2c(-c3cc(Cl)cn3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
PTGER1 P34995 5/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
BRD4 O60885 2/20 0.37
CFD P00746 1/20 0.37
AMY1A P0DUB6 1/20 0.37
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5795324 0.89 TP53 (0.42) TP53L3MBTL1BRD4MAPTSMN1; SMN2
SCHEMBL5795248 0.88 SRD5A1 (0.41) SRD5A1SRD5A2PSEN1PSEN2APH1B
SCHEMBL5795079 0.87 TP53 (0.39) TP53L3MBTL1BRD4TRIM24TRIM33
SCHEMBL5793855 0.87 TP53 (0.39) TP53BRD4TRIM24TRIM33ALDH1A1
SCHEMBL5794969 0.86 TP53 (0.38) TP53L3MBTL1BRD4TRIM24TRIM33
SCHEMBL5796339 0.85 CTSV (0.41) SRD5A1SRD5A2PTGER1PSEN1PSEN2
SCHEMBL1749273 0.82 PTGDR2 (0.39) SRD5A1SRD5A2PTGER1PSEN1PSEN2
SCHEMBL5796689 0.81 TP53 (0.45) TP53L3MBTL1BRD4TRIM24TRIM33
SCHEMBL5794529 0.81 TP53 (0.42) TP53L3MBTL1BRD4TRIM24TRIM33
SCHEMBL1779402 0.80 IGF1R (0.44) SRD5A1SRD5A2L3MBTL1

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