SCHEMBL7104870

SCHEMBL7104870

Nc1c(Br)cc(-c2nc3ccccc3s2)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
RAB9A P51151 8/20 0.60
KDM4E B2RXH2 7/20 0.60
NPC1 O15118 7/20 0.60
ALDH1A1 P00352 6/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
MAPT P10636 5/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
SMN1; SMN2 Q16637 5/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
HPGD P15428 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
GAA P10253 3/20 0.53
LMNA P02545 2/20 0.53
GLA P06280 2/20 0.53

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
SCHEMBL1978135 0.84 APP (0.69) APPMMP9MMP8RAB9AKDM4E
SCHEMBL12470919 0.84 KDM4E (0.61) APPMMP9MMP8RAB9AKDM4E
SCHEMBL13053014 0.82 RAB9A (0.69) APPMMP9MMP8RAB9AKDM4E
SCHEMBL21313421 0.81 KDM4E (0.59) APPMMP9MMP8RAB9AKDM4E
SCHEMBL2483239 0.81 KDM4E (0.59) APPMMP9MMP8RAB9AKDM4E
SCHEMBL14939305 0.81 RAB9A (0.67) APPMMP9MMP8RAB9AKDM4E
SCHEMBL18875264 0.81 APP (0.57) APPMMP9MMP8RAB9AKDM4E
SCHEMBL8532762 0.80 MAPT (0.67) APPRAB9AKDM4ENPC1ALDH1A1
SCHEMBL12471564 0.78 KDM4E (0.64) APPMMP9MMP8RAB9AKDM4E
SCHEMBL751814 0.77 RAB9A (0.56) APPMMP9MMP8RAB9AKDM4E

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
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
US-6034246-A ANTICANCER AGENT CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-07 US 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