SCHEMBL10569569

SCHEMBL10569569

CCOC(=O)C1(C)C(=O)Nc2cc(NC(=O)c3cnc(=O)n(C)c3)c([N+](=O)[O-])cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
MAPT P10636 8/20 0.35
LMNA P02545 4/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MET P08581 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
SCHEMBL10567299 0.88 MAPT (0.38) POLBMAPTLMNAKMT2AMAPK1
SCHEMBL9830264 0.83 MAPT (0.41) POLBMAPTLMNAKMT2AMAPK1
SCHEMBL10477979 0.83 MAPT (0.47) POLBMAPTLMNAKMT2AMAPK1
SCHEMBL9831567 0.82 MAPT (0.52) MAPTLMNAKMT2ANPC1CYP1A2
SCHEMBL10565931 0.81 ALDH1A1 (0.43) POLBMAPTLMNAKMT2ARAB9A
SCHEMBL10568792 0.80 LMNA (0.37) POLBMAPTLMNAKMT2AMAPK1
SCHEMBL10567151 0.80 MAPK1 (0.39) MAPTLMNAKMT2AMAPK1RAB9A
SCHEMBL9832315 0.79 MAPT (0.39) POLBMAPTLMNAKMT2AMAPK1
SCHEMBL9835169 0.79 RECQL (0.43) POLBMAPTLMNAKMT2AMAPK1
SCHEMBL9833516 0.78 MAPT (0.52) MAPTLMNAKMT2ANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4835280-A Indoline compounds for synthesis of pharmaceutically active pyrrolobenzimidazoles BOEHRINGER MANNHEIM GMBH (DE) 1989-05-30 US disclosed
US-4695567-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them and method of using them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-09-22 US disclosed
EP-0189103-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1986-07-30 EP disclosed