SCHEMBL10568216

SCHEMBL10568216

CCOC(=O)C1C(=O)Nc2cc3c(cc21)NC(c1nc[nH]n1)N3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.42
ALDH1A1 P00352 6/20 0.37
MAPT P10636 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 4/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 2/20 0.34
ALOX15 P16050 1/20 0.34
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 2/20 0.31
TSHR P16473 2/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 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
SCHEMBL10563573 0.80 TDP2 (0.44) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9834438 0.80 TDP2 (0.49) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9833078 0.80 TDP2 (0.49) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9833486 0.79 TDP2 (0.45) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL10566814 0.78 TDP2 (0.42) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL10566884 0.77 TDP2 (0.40) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL10567238 0.77 TDP2 (0.43) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL10567155 0.77 TDP2 (0.40) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9833956 0.76 KDM4E (0.52) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL10571719 0.74 TDP2 (0.43) TDP2ALDH1A1MAPTL3MBTL1KDM4E

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