SCHEMBL20419976

SCHEMBL20419976

CNCCOCCOCCNc1ccc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 2/20 0.60
▸ MAPT P10636 11/20 0.54
▸ LMNA P02545 3/20 0.54
▸ PKM P14618 1/20 0.54
▸ HCAR3 P49019 1/20 0.46
▸ RAB9A P51151 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ VCAM1 P19320 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL20419963 0.88 KAT2B (0.70) KAT2BMAPTLMNAPKMHCAR3
SCHEMBL9516451 0.87 KAT2B (0.61) KAT2BMAPTLMNAPKMHCAR3
SCHEMBL22126311 0.86 KAT2B (0.56) KAT2BMAPTLMNAPKMHCAR3
SCHEMBL26913572 0.85 KAT2B (0.65) KAT2BMAPTLMNAPKMHCAR3
SCHEMBL20415311 0.83 KMT2A (0.55) KAT2BMAPTLMNAPKMHCAR3
SCHEMBL25255434 0.82 KAT2B (0.56) KAT2BMAPTLMNAPKMHCAR3
SCHEMBL31069460 0.81 KAT2B (0.70) KAT2BMAPTLMNAPKMHCAR3
SCHEMBL1204829 0.81 KAT2B (0.70) KAT2BMAPTLMNAPKMHCAR3
SCHEMBL20420265 0.79 KAT2B (0.57) KAT2BMAPTLMNAPKMRAB9A
SCHEMBL112161 0.78 KAT2B (0.70) KAT2BMAPTLMNAPKMHCAR3

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
WO-2018135598-A1 NOVEL FLUORESCENT LABELING METHOD 国立大学法人 東京大学 2018-07-26 — — WO disclosed
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