SCHEMBL10567155

SCHEMBL10567155

CCOC(=O)C1C(=O)Nc2cc3c(cc21)NC(c1cnsn1)N3

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.40
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL10567238 0.81 TDP2 (0.43) TDP2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL10563573 0.81 TDP2 (0.44) TDP2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL9833078 0.78 TDP2 (0.49) TDP2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL9834438 0.78 TDP2 (0.49) TDP2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL9833486 0.78 TDP2 (0.45) TDP2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL10566884 0.77 TDP2 (0.40) TDP2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL10568216 0.77 TDP2 (0.42) TDP2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL10566814 0.77 TDP2 (0.42) TDP2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL9833956 0.76 KDM4E (0.52) TDP2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL10567141 0.75 TDP2 (0.37) TDP2MAPTL3MBTL1ALDH1A1KDM4E

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