SCHEMBL9831795

SCHEMBL9831795

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNMA1 Q12791 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HDAC1 Q13547 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
GAA P10253 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38

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 0.96 MAPT (0.50) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL11021883 0.93 MAPT (0.47) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9831655 0.90 MAPT (0.38) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9833125 0.89 MAPT (0.54) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9832393 0.86 MAPT (0.39) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL11023666 0.84 MAPT (0.39) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9832307 0.84 MAPT (0.57) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9833142 0.82 MAPT (0.57) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9830360 0.81 MAPT (0.52) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9832502 0.81 MAPT (0.54) MAPTNPC1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161632-B1 PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1991-04-10 EP disclosed
US-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US disclosed