SCHEMBL13159985

SCHEMBL13159985

COC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C(=O)C=O)cnn4-c4ccccc4)c3N)n2)c1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.42
▸ RAB9A P51151 9/20 0.41
▸ NPC1 O15118 7/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ TDP1 Q9NUW8 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ GPR35 Q9HC97 4/20 0.38
▸ GPR55 Q9Y2T6 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL10454139 0.95 HPGD (0.46) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9972805 0.89 HPGD (0.41) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13159970 0.88 KMT2A (0.35) HPGDMEN1KMT2AGPR35
SCHEMBL20411816 0.88 HPGD (0.46) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12759192 0.88 HPGD (0.40) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10332024 0.86 RAB9A (0.48) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20311542 0.86 HPGD (0.38) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20411815 0.84 HPGD (0.48) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL15730957 0.83 HPGD (0.41) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13159975 0.82 KMT2A (0.36) HPGDMAPTMEN1KMT2AGPR35

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
US-8500897-B2 Ink set, recorded material and printed material FUJIFILM CORPORATION (JP) 2013-08-06 — — US disclosed
US-8426495-B2 Radiation-curable ink composition for inkjet recording, inkjet recording method, and printed matter FUJIFILM CORPORATION (JP) 2013-04-23 — — US disclosed
US-20100221507-A1 RADIATION-CURABLE INK COMPOSITION FOR INKJET RECORDING, INKJET RECORDING METHOD, AND PRINTED MATTER FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
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