SCHEMBL4398093

SCHEMBL4398093

Cc1nn(-c2nc(O)nc(-n3nc(C)c(N=Nc4c(C#N)cnn4-c4cc(C(=O)O)cc(C(=O)O)c4)c3N)n2)c(N)c1N=Nc1c(C#N)cnn1-c1cc(OCO)cc(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.37
KMT2A Q03164 3/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.35
GLA P06280 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
F2 P00734 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 2/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
ALOX12 P18054 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL58810 0.92 XDH (0.41) XDHKMT2ANPC1MAPTRAB9A
SCHEMBL12552951 0.90 XDH (0.38) XDHKMT2ANPC1MAPTRAB9A
SCHEMBL12052399 0.90 XDH (0.38) XDHKMT2ANPC1MAPTRAB9A
SCHEMBL4400206 0.88 MAPT (0.38) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4400175 0.88 MAPT (0.34) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13762788 0.86 XDH (0.36) XDHKMT2ANPC1MAPTRAB9A
SCHEMBL10139559 0.85 XDH (0.36) XDHKMT2ANPC1MAPTRAB9A
SCHEMBL10052067 0.85 XDH (0.36) XDHKMT2ANPC1MAPTRAB9A
SCHEMBL13797714 0.84 XDH (0.33) XDHKMT2ANPC1MAPTRAB9A
SCHEMBL12998805 0.83 XDH (0.37) XDHKMT2ANPC1MAPTRAB9A

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
US-8257479-B2 Water-based ink for ink-jet recording, ink cartridge, and ink-jet recording apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2012-09-04 US disclosed
US-8252102-B2 Water-based black ink for ink-jet recording, ink cartridge, and ink-jet recording apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2012-08-28 US disclosed
US-8177898-B2 Water-based ink for ink-jet recording, ink cartridge, ink-jet recording apparatus and method of stabilizing water-based ink for ink-jet recording BROTHER KOGYO KABUSHIKI KAISHA (JP) 2012-05-15 US disclosed
US-20100101452-A1 Water-Based Ink for Ink-Jet Recording, Ink Cartridge, and Ink-Jet Recording Apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2010-04-29 US disclosed
US-20100101450-A1 Water-Based Black Ink for Ink-Jet Recording, Ink Cartridge, and Ink-Jet Recording Apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2010-04-29 US disclosed
US-20090167830-A1 Water-Based Ink for Ink-Jet Recording, Ink Cartridge, Ink-Jet Recording Apparatus and Method of Stabilizing Water-Based Ink for Ink-Jet Recording BROTHER KOGYO KABUSHIKI KAISHA (JP) 2009-07-02 US disclosed