SCHEMBL7122558

SCHEMBL7122558

O=C(O)Cc1nc(CC(=O)O)nc(CC(=O)O)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
AKR1B1 P15121 3/20 0.39
GABRA5 P31644 3/20 0.38
GABRB2 P47870 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CA2 P00918 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
GABRA1 P14867 2/20 0.36
TSHR P16473 2/20 0.36
GABRA4 P48169 2/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRR2 P28476 1/20 0.36
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL27938878 0.81 CYP1A2 (1.00) CYP1A2AKR1B1GABRA5GABRB2HSD17B10
SCHEMBL9461205 0.77 CYP1A2 (0.50) CYP1A2AKR1B1GABRA5GABRB2HSD17B10
SCHEMBL9461214 0.77 HTT (0.67) CYP1A2ALDH1A1HTTTSHRGABRR1
SCHEMBL29733309 0.73 CYP1A2 (0.46) CYP1A2AKR1B1GABRA5GABRB2HSD17B10
SCHEMBL7013448 0.72 ALDH1A1 (0.50) CYP1A2HSD17B10ALDH1A1TSHRNFKB1
SCHEMBL874090 0.71 CYP1A2 (0.50) CYP1A2AKR1B1GABRA5GABRB2HSD17B10
SCHEMBL11552483 0.70 CYP1A2 (0.43) CYP1A2AKR1B1ALDH1A1TSHRMAPT
SCHEMBL15661313 0.69 CYP1A2 (0.43) CYP1A2AKR1B1GABRA5GABRB2HSD17B10
Hydrochloric Acid SCHEMBL6645397 0.69 KDM4E (0.48) CYP1A2AKR1B1GABRA5GABRB2HSD17B10
SCHEMBL15661938 0.69 CYP1A2 (0.43) CYP1A2AKR1B1GABRA5GABRB2HSD17B10

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
EP-0945496-B1 Ink compositions and multicolor thermal ink jet printing process for the production of high quality images XEROX CORP (US) 2003-11-12 EP claimed
US-9812315-B2 Treating solution for electronic parts, and process for producing electronic parts FINE POLYMERS CORPORATION (JP) 2017-11-07 US disclosed
US-20150279654-A1 TREATING SOLUTION FOR ELECTRONIC PARTS, AND PROCESS FOR PRODUCING ELECTRONIC PARTS FINE POLYMERS CORPORATION (JP) 2015-10-01 US disclosed
US-4483988-A Substituted derivatives of 4-t-alkoxycarbonyl-piperazin-2-ones RICHARDSON MERRELL INC. (US) 1984-11-20 US disclosed
US-4435571-A 5-(Substituted benzyl)-6-oxo-2-piperazine carboxylic acids and esters RICHARDSON MERRELL INC. (US) 1984-03-06 US disclosed
US-4341698-A Enkaphalin derivatives RICHARDSON-MERRELL INC. (US) 1982-07-27 US disclosed