SCHEMBL9832779

SCHEMBL9832779

C=CCC1C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3cccnc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KCNMA1 Q12791 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
HCAR3 P49019 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
HDAC1 Q13547 1/20 0.38
GAA P10253 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
SCHEMBL9832841 0.96 MAPT (0.48) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9832176 0.89 MAPT (0.38) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9834020 0.88 MAPT (0.56) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9832415 0.86 MAPT (0.51) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9833492 0.85 MAPT (0.40) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL11025524 0.85 MAPT (0.52) MAPTNPC1ALDH1A1POLBRAB9A
SCHEMBL9833518 0.83 MAPT (0.56) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9833084 0.82 MAPT (0.51) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9832338 0.82 MAPT (0.54) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9833706 0.81 MAPT (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0213713-B1 2-OXOPYRROLIDINE PHARMACEUTICAL COMPOUNDS, SALTS THEREOF, AND THE PREPARATION THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1991-10-09 EP claimed
US-4678801-A CEREBRAL DYSFUNCTION SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1987-07-07 US claimed
EP-0213713-A2 2-Oxopyrrolidine pharmaceutical compounds, salts thereof, and the preparation thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1987-03-11 EP claimed
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