SCHEMBL10568153

SCHEMBL10568153

CCOC(=O)C1C(=O)Nc2cc(NC(=O)c3ncns3)c([N+](=O)[O-])cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
TDP2 O95551 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
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

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
SCHEMBL9833925 0.81 MAPT (0.41) MAPTGAARECQLTDP2NPC1
SCHEMBL10568156 0.80 MAPT (0.36) MAPTGAARECQLTDP2NPC1
SCHEMBL10567315 0.79 MAPT (0.37) MAPTGAARECQLTDP2NPC1
SCHEMBL9832455 0.79 MAPT (0.52) MAPTGAANPC1LMNACYP1A2
SCHEMBL9831476 0.78 MAPT (0.41) MAPTGAARECQLTDP2NPC1
SCHEMBL9832980 0.75 MAPT (0.52) MAPTGAANPC1LMNACYP1A2
SCHEMBL9832464 0.74 TDP2 (0.44) MAPTTDP2KMT2ALMNACYP1A2
SCHEMBL9831629 0.72 TDP2 (0.44) MAPTTDP2KMT2ALMNACYP1A2
SCHEMBL9831885 0.72 MAPT (0.43) MAPTGAARECQLNPC1RAB9A
SCHEMBL9834277 0.69 MAPT (0.57) MAPTNPC1RAB9AKMT2AMAPK1

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