SCHEMBL7731390

SCHEMBL7731390

CC(=O)NCC(C)(C)c1cccc([N+](=O)[O-])c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
THRB P10828 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
PKM P14618 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36

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
Trifluoroacetic Acid SCHEMBL7732635 0.74 NPSR1 (0.39) NPSR1MEN1KMT2AALDH1A1HTT
SCHEMBL7735993 0.73 NPSR1 (0.46) NPSR1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL24011240 0.72 MTNR1A (0.43) NPSR1ALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL7732543 0.72 TDP1 (0.46) NPSR1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7650256 0.72 NPSR1 (0.51) NPSR1MEN1KMT2AALDH1A1HTT
SCHEMBL3126302 0.71 GPR35 (0.65) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL3117649 0.70 PKM (0.55) NPSR1MEN1KMT2APOLBALDH1A1
SCHEMBL17703662 0.69 NPSR1 (0.51) NPSR1THRBMEN1KMT2APOLB
Selenium SCHEMBL11463644 0.69 GPR35 (0.62) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL7731241 0.69 TDP1 (0.42) NPSR1MEN1KMT2AALDH1A1HTT

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
US-6407083-B1 ADMINISTERING AS 7-NITROBENZISOSELENAZOLINE DERIVATIVES AS ANTITUMOR AND ANTICARCINOGENIC AGENTS OXIS INTERNATIONAL, INC. 2002-06-18 US disclosed
US-6130212-A ANTITUMOR OXIS INTERNATIONAL S.A. (US) 2000-10-10 US disclosed
US-6057310-A TREATING LEUKEMIA, BREAST CANCER OXIS ISLE OF MAN, LIMITED (US) 2000-05-02 US disclosed
US-6001825-A Use of novel organoselenium compounds as pro-oxidizing agents their methods of preparation and pharmaceutical compositions and application thereof OXIS ISLE OF MAN, LIMITED (US) 1999-12-14 US disclosed
EP-0819682-A1 Use of novel organoselenium compounds as pro-oxidizing agents, their methods of preparation and pharmaceutical compositions and application containing them Oxis International S.A. (FR) 1998-01-21 EP disclosed