SCHEMBL6027031

SCHEMBL6027031

COc1ccc2[nH]c3c(C)c4ccnc(NCCCCCCN(OC)c5ccc6[nH]c7c(C)c8cc[n+](C)cc8cc7c6c5)c4cc3c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.60
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 4/20 0.38
BCHE P06276 3/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
GSK3B P49841 2/20 0.36
NQO1 P15559 1/20 0.36
GSK3A P49840 1/20 0.36
PAX8 Q06710 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35

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
Iodide SCHEMBL2313371 0.81 KIT (0.67) KITRECQLTDP1ACHEBCHE
SCHEMBL3250585 0.81 KIT (0.67) KITRECQLTDP1ACHEBCHE
SCHEMBL2312023 0.77 KIT (0.73) KITRECQLACHEBCHEALDH1A1
SCHEMBL2315040 0.77 KIT (0.73) KITRECQLACHEBCHEALDH1A1
SCHEMBL2317073 0.76 KIT (0.78) KITRECQLBCHEALDH1A1KDM4E
Iodide SCHEMBL5363520 0.76 KIT (0.64) KITRECQLTDP1ACHEBCHE
SCHEMBL2309766 0.76 KIT (1.00) KITRECQLBCHEALDH1A1KDM4E
SCHEMBL2314192 0.75 KIT (0.76) KITRECQLACHEBCHEALDH1A1
SCHEMBL2311284 0.74 KIT (0.76) KITRECQLACHEBCHEALDH1A1
SCHEMBL12387158 0.70 KIT (0.70) KITRECQLALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663219-A2 USE OF INDOLE-DERIVED COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT THAT CAN BE USED TO TREAT DISEASES RELATED TO THE SPLICING PROCESS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2006-06-07 EP claimed
WO-2005023255-A2 USE OF INDOLE-DERIVED COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT THAT CAN BE USED TO TREAT DISEASES RELATED TO THE SPLICING PROCESS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-03-17 WO claimed
EP-1663219-A2 USE OF INDOLE-DERIVED COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT THAT CAN BE USED TO TREAT DISEASES RELATED TO THE SPLICING PROCESS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2006-06-07 EP disclosed
WO-2005023255-A2 USE OF INDOLE-DERIVED COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT THAT CAN BE USED TO TREAT DISEASES RELATED TO THE SPLICING PROCESS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-03-17 WO disclosed