SCHEMBL9832663

SCHEMBL9832663

CCOC(=O)C1C(=O)Nc2cc(N)c(N)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.51
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.35
HSD17B10 Q99714 3/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL9832464 0.85 TDP2 (0.44) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9831629 0.85 TDP2 (0.44) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9830748 0.84 ALDH1A1 (0.34) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9833078 0.81 TDP2 (0.49) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9834438 0.81 TDP2 (0.49) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9832401 0.79 MAPT (0.33) ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL22152022 0.78 TDP2 (0.69) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL7218237 0.77 MAPT (0.74) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9833694 0.76 TDP2 (0.45) TDP2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9834430 0.76 TDP2 (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161632-B1 PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1991-04-10 EP disclosed
US-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US disclosed
CN-85103724-B Process for preparing pyrrolobenzimidazoles 曼海姆伯灵格股份公司 1988-07-06 CN disclosed
CN-85103724-A The method for preparing novel pyrrolo-benzoglyoxaline 1986-07-02 CN disclosed