SCHEMBL7108926

SCHEMBL7108926

Cc1cc(OS(N)(=O)=O)ccc1-c1nc2ccccc2s1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.49
RXFP1 Q9HBX9 2/20 0.49
KDM4E B2RXH2 6/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 3/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 1/20 0.46
HCRTR1 O43613 1/20 0.45
GLA P06280 1/20 0.45
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44

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
SCHEMBL7106230 0.86 MAPT (0.47) MAPTRXFP1KDM4ENPC1RAB9A
SCHEMBL7112524 0.80 RAB9A (0.61) MAPTKDM4ENPC1RAB9ANPSR1
Ammonia Solution, Strong SCHEMBL7109726 0.77 RAB9A (0.61) MAPTKDM4ENPC1RAB9ANPSR1
SCHEMBL4593218 0.75 MAPT (0.65) MAPTRXFP1KDM4ENPC1RAB9A
SCHEMBL10414016 0.74 KDM4E (0.64) MAPTKDM4ENPC1RAB9ANPSR1
SCHEMBL24060296 0.73 KDM4E (0.58) MAPTKDM4ENPC1RAB9ANPSR1
SCHEMBL9018539 0.72 MAPT (0.54) MAPTRXFP1KDM4ENPC1RAB9A
SCHEMBL31120341 0.72 MAPT (0.57) MAPTRXFP1KDM4ENPC1RAB9A
SCHEMBL7109682 0.72 MAPT (0.61) MAPTRXFP1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL3458454 0.72 AGPAT2 (0.51) MAPTKDM4ENPC1RAB9ANPSR1

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 4 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 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
WO-1996026932-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-09-06 WO disclosed