SCHEMBL12998643

SCHEMBL12998643

[C-]#[N+]c1cnn(-c2ccc(C(=O)O)c(C(=O)O)c2)c1N=Nc1c(C)nn(-c2nc(O)nc(-n3nc(C)c(N=Nc4c(C#N)cnn4-c4ccc(C(=O)O)c(C(=O)O)c4)c3N)n2)c1N

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GLA P06280 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL1613186 0.96 XDH (0.41) XDHKMT2AMEN1NPC1MAPT
SCHEMBL12998755 0.95 XDH (0.31) XDH
SCHEMBL12052398 0.93 XDH (0.39) XDHKMT2AMEN1NPC1MAPT
SCHEMBL12998659 0.93 XDH (0.33) XDHKMT2AMEN1NPC1MAPT
SCHEMBL10139509 0.93
SCHEMBL1613194 0.89 KMT2A (0.35) XDHKMT2AMEN1NPC1MAPT
SCHEMBL10052067 0.89 XDH (0.36) XDHKMT2AMEN1NPC1MAPT
SCHEMBL10139559 0.89 XDH (0.36) XDHKMT2AMEN1NPC1MAPT
SCHEMBL1613303 0.88 SMN1; SMN2 (0.41) XDHKMT2AMEN1NPC1MAPT
SCHEMBL12591244 0.88 XDH (0.39) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372190-B2 Ink set, inkjet recording method and recorded material FUJIFILM CORPORATION (JP) 2013-02-12 US disclosed
US-8357235-B2 Inkjet ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-01-22 US disclosed
US-20100302305-A1 INK SET, INKJET RECORDING METHOD AND RECORDED MATERIAL FUJIFILM CORPORATION (JP) 2010-12-02 US disclosed
US-20100245512-A1 INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100242791-A1 INKJET INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100231670-A1 SET FOR INK JET RECORDING, AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-16 US disclosed
US-7758683-B2 Ink composition, ink set and recording method FUJIFILM CORPORATION (JP) 2010-07-20 US disclosed
US-7704311-B2 Ink composition, manufacturing method of ink, ink set, and recording method FUJIFILM CORPORATION (JP) 2010-04-27 US disclosed
US-20100075041-A1 INKJET RECORDING YELLOW INK, INKJET RECORDING INK SET AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
US-20100071588-A1 INKJET RECORDING YELLOW INK, INKJET RECORDING INK SET AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
US-20090246378-A1 Ink composition, ink set, and image recording method FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-7527683-B2 Ink for ink-jet recording, ink set, and ink-jet recording method FUJIFILM CORPORATION (JP) 2009-05-05 US disclosed
US-20090043081-A1 INK JET RECORDING SET AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-02-12 US disclosed
US-20070109376-A1 Ink composition, ink set and recording method FUJIFILM CORPORATION 2007-05-17 US disclosed