SCHEMBL11024601

SCHEMBL11024601

CC1(C)C(=S)Nc2cc(NC(=O)c3ccccn3)c([N+](=O)[O-])cc21.CC1(C)C(=S)Nc2cc(NC(=O)c3cccnc3)c([N+](=O)[O-])cc21.CC1(C)C(=S)Nc2cc(NC(=O)c3ccncc3)c([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AURKB Q96GD4 1/20 0.40
HDAC1 Q13547 1/20 0.40
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
KCNMA1 Q12791 1/20 0.38
ABCB1 P08183 1/20 0.37
ABCC1 P33527 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
SCHEMBL9833026 0.90 MAPT (0.56) MAPTNPC1POLBALDH1A1MEN1
SCHEMBL9832360 0.88 AURKB (0.44) MAPTNPC1ALDH1A1MEN1RAB9A
SCHEMBL9831043 0.86 MAPT (0.56) MAPTNPC1POLBALDH1A1MEN1
SCHEMBL9833245 0.86 POLB (0.42) MAPTNPC1POLBALDH1A1MEN1
SCHEMBL9832573 0.85 AURKB (0.44) MAPTNPC1MEN1RAB9AKMT2A
SCHEMBL9831184 0.83 POLB (0.42) MAPTNPC1POLBALDH1A1MEN1
SCHEMBL11021482 0.82 MAPT (0.46) MAPTNPC1POLBALDH1A1MEN1
SCHEMBL11023666 0.79 MAPT (0.39) MAPTNPC1POLBALDH1A1MEN1
SCHEMBL9833900 0.78 AURKB (0.45) MAPTNPC1ALDH1A1MEN1RAB9A
SCHEMBL11023902 0.77 MAPT (0.43) MAPTNPC1ALDH1A1MEN1RAB9A

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