SCHEMBL10568156

SCHEMBL10568156

CCOC(=O)C1C(=O)Nc2cc(NC(=O)c3cc(C)nnc3C)c([N+](=O)[O-])cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
RECQL P46063 1/20 0.36
TDP2 O95551 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.33
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 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
SCHEMBL10566252 0.84 MAPT (0.35) MAPTGAAALDH1A1LMNAPOLB
SCHEMBL9833925 0.82 MAPT (0.41) MAPTGAARECQLTDP2ALDH1A1
SCHEMBL10567315 0.82 MAPT (0.37) MAPTGAARECQLTDP2ALDH1A1
SCHEMBL10568153 0.80 MAPT (0.35) MAPTGAARECQLTDP2ALDH1A1
SCHEMBL9832455 0.79 MAPT (0.52) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL9831476 0.79 MAPT (0.41) MAPTGAARECQLTDP2ALDH1A1
SCHEMBL9832980 0.76 MAPT (0.52) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL9832464 0.75 TDP2 (0.44) MAPTTDP2ALDH1A1LMNAKMT2A
SCHEMBL9831629 0.73 TDP2 (0.44) MAPTTDP2ALDH1A1LMNAKMT2A
SCHEMBL9831885 0.72 MAPT (0.43) MAPTGAARECQLALDH1A1LMNA

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