SCHEMBL11021883

SCHEMBL11021883

C=CCC1(CC=C)C(=O)Nc2cc(NC(=O)c3cccnc3)c([N+](=O)[O-])cc21.C=CCC1(CC=C)C(=O)Nc2cc(NC(=O)c3ccncc3)c([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
HDAC1 Q13547 1/20 0.38
KCNMA1 Q12791 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
HCAR3 P49019 1/20 0.37

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
SCHEMBL9833911 0.97 MAPT (0.50) MAPTNPC1POLBCACNA1BAPBA1
SCHEMBL9832393 0.94 MAPT (0.39) MAPTNPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL9831795 0.93 MAPT (0.50) MAPTNPC1POLBCACNA1BAPBA1
SCHEMBL9831655 0.90 MAPT (0.38) MAPTNPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL11023666 0.85 MAPT (0.39) MAPTNPC1POLBCACNA1BAPBA1
SCHEMBL9833125 0.82 MAPT (0.54) MAPTNPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL9832729 0.79 MAPT (0.57) MAPTNPC1POLBCACNA1BAPBA1
SCHEMBL9831749 0.79 MAPT (0.54) MAPTNPC1POLBCACNA1BAPBA1
SCHEMBL9832386 0.79 MAPT (0.52) MAPTNPC1POLBCACNA1BAPBA1
SCHEMBL9831423 0.78 MAPT (0.40) MAPTNPC1POLBSMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161632-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1985-11-21 EP disclosed