SCHEMBL20311542

SCHEMBL20311542

COC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C4CCCCC4)c3N)n2)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.38
▸ RAB9A P51151 7/20 0.38
▸ MAPT P10636 7/20 0.38
▸ NPC1 O15118 6/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ TDP1 Q9NUW8 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NR3C1 P04150 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ GPR35 Q9HC97 2/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34

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 0.91 HPGD (0.46) HPGDRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL13159985 0.86 HPGD (0.42) HPGDRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL9972805 0.85 HPGD (0.41) HPGDRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL20411816 0.84 HPGD (0.46) HPGDRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL12759192 0.84 HPGD (0.40) HPGDRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL10332024 0.82 RAB9A (0.48) HPGDRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL20411815 0.80 HPGD (0.48) HPGDRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL15730957 0.79 HPGD (0.41) HPGDRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL10452739 0.78 KMT2A (0.39) HPGDRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL14845499 0.78 ALDH1A1 (0.40) HPGDRAB9AMAPTNPC1SMN1; SMN2

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-2268744-B1 AZO PIGMENTS, AND PIGMENT DISPERSION, COLORING COMPOSITION AND INK FOR INKJET RECORDING CONTAINING THE AZO PIGMENT FUJIFILM CORP (JP) 2018-06-27 — — EP disclosed
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