SCHEMBL12017341

SCHEMBL12017341

C=Nc1c(C#N)cnn1-c1nc(O)nc(N=O)n1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.31
PTGS2 P35354 4/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
XDH P47989 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL13430466 0.67 KMT2A (0.53) ALDH1A1LMNAXDHPOLB
SCHEMBL13069064 0.63 KMT2A (0.34) PTGS1PTGS2ALDH1A1SMN1; SMN2XDH
SCHEMBL13069060 0.61 PDE10A (0.34) XDH
SCHEMBL4742610 0.61
SCHEMBL13430469 0.59 KMT2A (0.44) ALDH1A1SMN1; SMN2XDH
SCHEMBL12945658 0.59 ALDH1A1 (0.32) ALDH1A1LMNATSHRTDP1SMN1; SMN2
SCHEMBL12062600 0.59
SCHEMBL10102099 0.56 CDK2 (0.35) PTGS1PTGS2ALDH1A1TDP1SMN1; SMN2
SCHEMBL10101838 0.56 CDK2 (0.35) PTGS1PTGS2ALDH1A1TDP1SMN1; SMN2
SCHEMBL13430463 0.55 KMT2A (0.51) ALDH1A1TSHRXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492317-A2 Azo compound, azo pigment, dispersion containing the azo compound or azo pigment, coloring composition, ink for inkjet recording, ink tank for inkjet recording, inkjet recording method and recorded material FUJIFILM Corporation (JP) 2012-08-29 EP disclosed