SCHEMBL9832502

SCHEMBL9832502

CC(=O)C1(C)C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3cccnc3)cc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
NPC1 O15118 1/20 0.54
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 1/20 0.43
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNMA1 Q12791 1/20 0.41
HDAC1 Q13547 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL9831749 0.96 MAPT (0.54) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL9833142 0.91 MAPT (0.57) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL9832307 0.89 MAPT (0.57) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL9834325 0.88 POLB (0.41) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL9833516 0.88 MAPT (0.52) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL9832729 0.87 MAPT (0.57) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL9832931 0.85 MAPT (0.52) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL9833125 0.85 MAPT (0.54) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL9834038 0.84 MAPT (0.42) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL11023771 0.84 MAPT (0.43) MAPTNPC1MEN1KMT2AALDH1A1

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