SCHEMBL12759192

SCHEMBL12759192

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.40
▸ RAB9A P51151 9/20 0.39
▸ NPC1 O15118 9/20 0.39
▸ SMN1; SMN2 Q16637 7/20 0.39
▸ MAPT P10636 7/20 0.39
▸ TDP1 Q9NUW8 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ GPR35 Q9HC97 3/20 0.35
▸ GPR55 Q9Y2T6 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 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 0.93 HPGD (0.46) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9972805 0.92 HPGD (0.41) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13159985 0.88 HPGD (0.42) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20411816 0.86 HPGD (0.46) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL15730957 0.86 HPGD (0.41) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10332024 0.84 RAB9A (0.48) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20311542 0.84 HPGD (0.38) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL14767590 0.82 ALDH1A1 (0.35) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20411815 0.82 HPGD (0.48) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL15730960 0.81 RAB9A (0.43) HPGDRAB9ANPC1SMN1; SMN2MAPT

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
US-20110050789-A1 INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
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