SCHEMBL7197911

SCHEMBL7197911

Nc1ncnc2c1ncn2OC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HARS1 P12081 1/20 0.50
CYP3A4 P08684 1/20 0.46
SLC7A5 Q01650 1/20 0.46
NLN Q9BYT8 1/20 0.41
BTK Q06187 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MARS1 P56192 1/20 0.38
GSK3B P49841 1/20 0.38

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
Histidine SCHEMBL27713160 0.82 CYP3A4 (0.49) HARS1CYP3A4SLC7A5NLNBTK
SCHEMBL9732187 0.78 ALDH1A1 (0.43) SLC7A5BTKALDH1A1GSK3B
SCHEMBL1577868 0.77 ADORA2A (0.46) CYP3A4ALDH1A1MARS1GSK3B
SCHEMBL9663409 0.76 MARS1 (0.58) ALDH1A1MARS1GSK3B
SCHEMBL4201622 0.75 ALDH1A1 (0.42) ALDH1A1MARS1GSK3B
SCHEMBL28077123 0.75 NNMT (0.45) CYP3A4ALDH1A1MARS1GSK3B
SCHEMBL388562 0.72 CYP3A4 (0.73) CYP3A4SLC7A5ALDH1A1
SCHEMBL28554819 0.71 CYP3A4 (0.67) CYP3A4SLC7A5NLNALDH1A1
SCHEMBL28406873 0.71 ADORA2A (0.50) CYP3A4ALDH1A1GSK3B
SCHEMBL163444 0.71 CYP3A4 (0.71) CYP3A4SLC7A5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101574151-A Nutritional food with function of strengthening immunity and preparation method thereof BEIJING HUIZHONGMINGJIE BIOTEC (CN) 2009-11-11 CN disclosed
US-6590140-B1 Transgenic plant which expresses a polypeptide comprising given amino acid sequence; iron uptake; can be used to remove pollutants from soil or as nutritional supplements to treat iron- or zinc-deficiency TRUSTEES OF DARTMOUTH COLLEGE 2003-07-08 US disclosed
US-6162900-A Metal-regulated transporters and uses therefor TRUSTEES OF DARTMOUTH COLLEGE (US) 2000-12-19 US disclosed
US-5846821-A Metal-regulated transporters and uses therefor TRUSTEES OF DARTMOUTH COLLEGE (US) 1998-12-08 US disclosed
WO-1997045000-A1 METAL-REGULATED TRANSPORTERS AND USES THEREFOR TRUSTEES OF DARTMOUTH COLLEGE (US) 1997-12-04 WO disclosed
CN-1123697-A Bulaogao for preventing senility HE YANXUE (CN) 1996-06-05 CN disclosed