SCHEMBL12998668

SCHEMBL12998668

[C-]#[N+]c1cnn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1N=Nc1c(C)nn(-c2cccc(-n3nc(C)c(N=Nc4c(C#N)cnn4-c4cc(C(=O)O)cc(C(=O)O)c4)c3N)n2)c1N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.37
▸ MAPT P10636 7/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HPGD P15428 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ AR P10275 1/20 0.31
▸ ALOX12 P18054 1/20 0.30
▸ HTT P42858 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
SCHEMBL12998674 0.92 XDH (0.38) XDHMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL10139521 0.92 XDH (0.36) XDHMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL12998695 0.92 XDH (0.37) XDHMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL12998805 0.91 XDH (0.37) XDHMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL12998697 0.91 XDH (0.37) XDHMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL12998807 0.91 XDH (0.35) XDHMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL12998808 0.90 XDH (0.36) XDHMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL1613105 0.89 KMT2A (0.35) XDHMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL12998652 0.89 XDH (0.34) XDHMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL10139559 0.89 XDH (0.36) XDHMAPTRAB9ASMN1; SMN2KMT2A

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 2 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-20100302305-A1 INK SET, INKJET RECORDING METHOD AND RECORDED MATERIAL FUJIFILM CORPORATION (JP) 2010-12-02 — — US disclosed
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