SCHEMBL10568792

SCHEMBL10568792

CCOC(=O)C1(C)C(=O)Nc2cc(NC(=O)c3cc(C)ncn3)c([N+](=O)[O-])cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
MAPK1 P28482 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.36
TP53 P04637 2/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 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
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 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
SCHEMBL10567151 0.90 MAPK1 (0.39) LMNAMAPK1TDP1MAPTNPSR1
SCHEMBL10565931 0.85 ALDH1A1 (0.43) LMNAMAPTTP53KMT2AALDH1A1
SCHEMBL10567299 0.84 MAPT (0.38) LMNAMAPK1TDP1MAPTNPSR1
SCHEMBL10568823 0.83 MAPT (0.36) LMNAMAPK1TDP1MAPTNPSR1
SCHEMBL9830264 0.82 MAPT (0.41) LMNAMAPK1TDP1MAPTNPSR1
SCHEMBL10477979 0.82 MAPT (0.47) LMNAMAPK1MAPTL3MBTL1KMT2A
SCHEMBL9835169 0.81 RECQL (0.43) LMNAMAPK1TDP1MAPTNPSR1
SCHEMBL10563184 0.81 PGR (0.35) LMNAMAPK1MAPTKMT2AALDH1A1
SCHEMBL10569569 0.80 POLB (0.35) LMNAMAPK1TDP1MAPTNPSR1
SCHEMBL9831567 0.79 MAPT (0.52) LMNAMAPTNPSR1TP53KMT2A

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