SCHEMBL2889237

SCHEMBL2889237

O=Nc1cccc(N[O-])c1.O=Nc1cccc(N[O-])c1.O=Nc1cccc(N[O-])c1.[Al+3]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NOS1 P29475 1/20 0.35
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ GAA P10253 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MAPT P10636 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
SCHEMBL12335260 0.77 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL2889240 0.75 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL8966246 0.75 ALDH1A1 (0.67) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL1275147 0.74 NOS1 (0.42) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL28198962 0.73 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL28257844 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL18893124 0.72 TDP1 (0.48) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL684016 0.72 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL10138647 0.71 KEAP1 (0.53) ALDH1A1CYP3A4HTTRAB9ANPC1
SCHEMBL12845567 0.71 PRSS1 (0.50) ALDH1A1NPC1NOS1PRSS1PRSS2

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-2145772-A2 Method of manufacturing aluminum alloy plate for lithographic printing plate, aluminum alloy plate for lithographic printing plate, lithographic printing plate support and presensitized plate FUJIFILM Corporation (JP) 2010-01-20 — — EP disclosed
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