SCHEMBL11023902

SCHEMBL11023902

CC1C(=S)Nc2cc([N+](=O)[O-])c(NC(=O)c3ccccn3)cc21.CC1C(=S)Nc2cc([N+](=O)[O-])c(NC(=O)c3cccnc3)cc21.CC1C(=S)Nc2cc([N+](=O)[O-])c(NC(=O)c3ccncc3)cc21.CCC1C(=S)Nc2cc([N+](=O)[O-])c(NC(=O)c3cccnc3)cc21.CCC1C(=S)Nc2cc([N+](=O)[O-])c(NC(=O)c3ccncc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
NPC1 O15118 3/20 0.43
GAA P10253 2/20 0.37
AURKB Q96GD4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HCAR3 P49019 1/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL11021482 0.94 MAPT (0.46) MAPTNPC1GAAAURKBKDM4E
SCHEMBL9833228 0.87 MAPT (0.55) MAPTNPC1GAAABCB1ABCC1
SCHEMBL9832909 0.86 AURKB (0.42) MAPTNPC1GAAAURKBKDM4E
SCHEMBL9832029 0.85 MAPT (0.55) MAPTNPC1ABCB1ABCC1MEN1
SCHEMBL9833480 0.84 MAPT (0.55) MAPTNPC1GAAABCB1ABCC1
SCHEMBL9831010 0.84 MAPT (0.41) MAPTNPC1GAAKDM4ELMNA
SCHEMBL9833445 0.83 AURKB (0.44) MAPTNPC1GAAAURKBKDM4E
SCHEMBL9831603 0.83 AURKB (0.42) MAPTGAAAURKBKDM4EPKM
SCHEMBL11025524 0.82 MAPT (0.52) MAPTNPC1GAAABCB1ABCC1
SCHEMBL9831368 0.82 MAPT (0.55) MAPTNPC1ABCB1ABCC1MEN1

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