SCHEMBL3513712

SCHEMBL3513712

[2H]Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.75
ADORA2B P29275 1/20 0.41
PNP P00491 2/20 0.39
XDH P47989 6/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GDA Q9Y2T3 2/20 0.36
ACHE P22303 1/20 0.36
RPS6KA3 P51812 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL22144 0.86 MAPT (1.00) MAPTADORA2BPNPXDHALDH1A1
SCHEMBL447389 0.78 MAPT (0.84) MAPTADORA2BPNPXDHALDH1A1
Hydrochloric Acid SCHEMBL7296117 0.76 MAPT (0.81) MAPTADORA2BPNPXDHALDH1A1
Leucopterin SCHEMBL14080077 0.71 MAPT (0.73) MAPTPNPALDH1A1HPGDALOX15
Triphosphate SCHEMBL6461190 0.71 MAPT (0.68) MAPTADORA2BPNPXDHDYRK1A
SCHEMBL1682869 0.71 MAPT (0.68) MAPTADORA2BPNPXDHALDH1A1
Uric Acid SCHEMBL30885091 0.69 MAPT (0.59) MAPTADORA2BXDHALDH1A1CYP3A4
SCHEMBL159446 0.68 MAPT (0.68) MAPTPNPXDHALDH1A1HPGD
SCHEMBL2206471 0.67 MAPT (0.66) MAPTPNPALDH1A1HPGDALOX15
Uric Acid SCHEMBL38665006 0.66 MAPT (0.53) MAPTADORA2BXDHALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317040-A1 METHODS AND KITS FOR DIAGNOSING CANCER Technion Research & Develepment Foundation Ltd. (IL) 2010-12-16 US claimed
US-9075060-B2 Methods for diagnosing oral or oral-pharyngeal cancer TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2015-07-07 US disclosed
US-20100317040-A1 METHODS AND KITS FOR DIAGNOSING CANCER Technion Research & Develepment Foundation Ltd. (IL) 2010-12-16 US disclosed