SCHEMBL7104770

SCHEMBL7104770

CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.67
SMN1; SMN2 Q16637 5/20 0.63
KDM4E B2RXH2 5/20 0.63
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
LMNA P02545 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 1/20 0.63
GAA P10253 1/20 0.60
MAPT P10636 9/20 0.57
BLM P54132 1/20 0.57
APP P05067 2/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
ADORA1 P30542 1/20 0.51
DYRK1A Q13627 1/20 0.51
THRB P10828 1/20 0.48

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
SCHEMBL3614565 0.84 RAB9A (0.57) TP53SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL3618377 0.82 PIK3CA (0.49) TP53SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL1666128 0.81 APP (0.68) TP53SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL12687416 0.80 APP (0.63) TP53SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL9436073 0.80 APP (0.63) TP53SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL31540156 0.79 NPC1 (0.48) TP53SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL920818 0.79 NPC1 (0.48) TP53SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL2282371 0.78 MAPT (0.68) RAB9ANPC1KMT2AMAPT
SCHEMBL2246561 0.77 APP (0.63) TP53SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL8532307 0.77 APP (0.67) TP53SMN1; SMN2KDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812319-B9 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2003-10-08 EP claimed
EP-0812319-B1 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2002-07-10 EP claimed
US-6034246-A ANTICANCER AGENT CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-07 US claimed
EP-0812319-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-12-17 EP claimed
WO-1996026932-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-09-06 WO claimed
EP-0812319-B9 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2003-10-08 EP disclosed
EP-0812319-B1 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2002-07-10 EP disclosed
EP-0812319-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-12-17 EP disclosed
WO-1996026932-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-09-06 WO disclosed