SCHEMBL4401199

SCHEMBL4401199

C1COC(NCCNC2=NCCO2)=N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 16/20 0.45
ADRA2B P18089 15/20 0.45
ADRA2C P18825 15/20 0.45
ADRA1A P35348 6/20 0.45
CYP3A4 P08684 2/20 0.45
GMNN O75496 1/20 0.45
CYP1A2 P05177 1/20 0.45
HTR1A P08908 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
OPRK1 P41145 1/20 0.45
HIF1A Q16665 1/20 0.45
NISCH Q9Y2I1 1/20 0.45
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CFB P00751 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
SCHEMBL9558829 0.89 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL11125378 0.87
SCHEMBL1726232 0.82 SMN1; SMN2 (0.43) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL24533674 0.81
SCHEMBL10143149 0.81
SCHEMBL8707780 0.80 SMN1; SMN2 (0.42) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL11123645 0.80 SMN1; SMN2 (0.42) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL11123146 0.80 SMN1; SMN2 (0.42) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL9558502 0.80 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL7510167 0.78 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1ACYP3A4

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
EP-1788044-B1 Ink-jet ink, ink-jet ink set, and ink-jet recording method KONICA MINOLTA HOLDINGS INC (JP) 2009-12-23 EP disclosed
EP-1788044-A1 Ink-jet ink, ink-jet ink set, and ink-jet recording method KONICA MINOLTA HOLDINGS, INC. (JP) 2007-05-23 EP disclosed
US-20070109375-A1 INK-JET INK, INK-JET INK SET AND INK-JET RECORDING METHOD KONICA MINOLTA HOLDINGS, INC. (JP) 2007-05-17 US disclosed