SCHEMBL11021640

SCHEMBL11021640

COC(=O)C1(C)C(=O)Nc2cc(NC(=O)c3cccnc3)c([N+](=O)[O-])cc21.COC(=O)C1(C)C(=O)Nc2cc(NC(=O)c3ccncc3)c([N+](=O)[O-])cc21.COC(=O)C1C(=O)Nc2cc(NC(=O)c3cccnc3)c([N+](=O)[O-])cc21.COC(=O)C1C(=O)Nc2cc(NC(=O)c3ccncc3)c([N+](=O)[O-])cc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
NPC1 O15118 2/20 0.45
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 1/20 0.34
HPGD P15428 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
SCHEMBL11025025 0.88 MAPT (0.38) MAPTNPC1ABCB1ABCC1MEN1
SCHEMBL11023771 0.88 MAPT (0.43) MAPTNPC1ABCB1ABCC1POLB
SCHEMBL9832729 0.87 MAPT (0.57) MAPTNPC1ABCB1ABCC1POLB
SCHEMBL9834277 0.87 MAPT (0.57) MAPTNPC1ABCB1ABCC1POLB
SCHEMBL9832294 0.84 MAPT (0.57) MAPTNPC1ABCB1ABCC1POLB
SCHEMBL9833142 0.84 MAPT (0.57) MAPTNPC1ABCB1ABCC1POLB
SCHEMBL9831885 0.84 MAPT (0.43) MAPTNPC1ABCB1ABCC1POLB
SCHEMBL9833046 0.84 MAPT (0.43) MAPTNPC1ABCB1ABCC1POLB
SCHEMBL11023012 0.84 MAPT (0.38) MAPTNPC1ABCB1ABCC1MEN1
SCHEMBL9833886 0.81 KMT2A (0.43) MAPTNPC1ABCB1ABCC1POLB

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