SCHEMBL7734153

SCHEMBL7734153

N#CC(Br)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 1/20 0.52
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
ACP3 P15309 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 3/20 0.44
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL11432821 0.80 TSHR (0.61) TSHRLMNAALDH1A1ACP3SMN1; SMN2
SCHEMBL384083 0.80 TSHR (0.61) TSHRLMNAALDH1A1ACP3SMN1; SMN2
SCHEMBL8870718 0.80 KMT2A (0.54) TSHRLMNAALDH1A1KDM4EACP3
SCHEMBL741878 0.80 TSHR (0.52) TSHRLMNAALDH1A1KDM4EACP3
SCHEMBL3845818 0.80 KMT2A (0.54) TSHRLMNAALDH1A1KDM4EACP3
SCHEMBL5757472 0.80 TSHR (0.52) TSHRLMNAALDH1A1KDM4EACP3
SCHEMBL12395375 0.80 TSHR (0.52) TSHRLMNAALDH1A1KDM4EACP3
SCHEMBL28757603 0.80 TSHR (0.52) TSHRLMNAALDH1A1KDM4EACP3
SCHEMBL7295540 0.78 TSHR (0.48) TSHRLMNAALDH1A1KDM4EACP3
SCHEMBL2540712 0.77 TSHR (0.57) TSHRLMNAALDH1A1ACP3SMN1; SMN2

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