SCHEMBL5794640

SCHEMBL5794640

COc1cc2[nH]cc(-c3cc(C4OCCO4)cn3S(=O)(=O)c3ccc(C)cc3)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
IDO1 P14902 4/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.32
TDO2 P48775 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL5797369 0.85 MAPT (0.42) MAPTKMT2AKDM4EMEN1IDO1
SCHEMBL5795867 0.82 MAPT (0.39) MAPTKMT2AKDM4EMEN1IDO1
SCHEMBL5069977 0.78 RAPGEF4 (0.41) MAPTKMT2AKDM4EMEN1HPGD
SCHEMBL1748729 0.77 MEN1 (0.34) MAPTKMT2AKDM4EMEN1HPGD
SCHEMBL5796903 0.74 EGFR (0.40) MAPTKMT2AKDM4EMEN1HPGD
SCHEMBL5796339 0.73 CTSV (0.41) MAPTHPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL5796390 0.73 EGFR (0.39) MAPTKMT2AKDM4EMEN1HPGD
SCHEMBL5794254 0.70 NPSR1 (0.41) KMT2AKDM4EMEN1L3MBTL1LMNA
SCHEMBL5069866 0.70 CTSV (0.43) MAPTKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL5794825 0.70 CTSV (0.43) MAPTKMT2AMEN1HPGDSMN1; SMN2

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