SCHEMBL7950825

SCHEMBL7950825

CCOC(=O)CCN(C(=O)c1ccc(N)c(N)c1)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NQO2 P16083 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 3/20 0.47
F2 P00734 3/20 0.47
NR1I2 O75469 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
SLC6A2 P23975 1/20 0.47
AGTR1 P30556 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SCN5A Q14524 1/20 0.47
TP53 P04637 2/20 0.43
SLC22A2 O15244 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL1269634 0.89 NQO2 (0.54) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL30407813 0.89 NQO2 (0.54) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL13833091 0.87 ALDH1A1 (0.63) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL9926672 0.84 ALDH1A1 (0.55) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL15700793 0.84 ALDH1A1 (0.55) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL15427687 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL17546280 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL19075841 0.81 ALDH1A1 (0.84) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL14696935 0.81 NQO2 (0.54) ALDH1A1MAPK1MEN1GAAKMT2A
SCHEMBL15211341 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1MEN1GAAKMT2A

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
WO-2009153215-A1 METHOD FOR PRODUCING AN INTERMEDIATE PRODUCT OF DABIGATRAN ETEXILATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-23 WO disclosed
WO-2007071742-A1 IMPROVED PROCESS FOR THE PREPARATION OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES AND THE SALTS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-28 WO disclosed
WO-2007071743-A1 IMPROVED PROCESS FOR THE PREPARATION OF THE SALTS OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-28 WO disclosed