SCHEMBL17743370

SCHEMBL17743370

N#Cc1ccc(NCCCCCC=O)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 4/20 0.68
▸ MAPT P10636 7/20 0.55
▸ PKM P14618 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PRSS1 P07477 4/20 0.48
▸ VCAM1 P19320 1/20 0.45
▸ HCAR3 P49019 2/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL27655316 0.85 KAT2B (0.71) KAT2BMAPTPKMLMNAPRSS1
SCHEMBL6220073 0.85 KAT2B (0.71) KAT2BMAPTPKMLMNAPRSS1
SCHEMBL6216875 0.84 KAT2B (0.77) KAT2BMAPTPKMLMNAPRSS1
SCHEMBL6214461 0.84 KAT2B (0.73) KAT2BMAPTPKMLMNAPRSS1
SCHEMBL6218547 0.82 KAT2B (0.74) KAT2BMAPTPKMLMNAPRSS1
SCHEMBL14342920 0.82 MAPT (0.55) KAT2BMAPTPKMLMNAPRSS1
SCHEMBL15823644 0.81 KAT2B (0.65) KAT2BMAPTPKMLMNAPRSS1
Hydrochloric Acid SCHEMBL514469 0.81 KAT2B (1.00) KAT2BMAPTPKMLMNAPRSS1
SCHEMBL112161 0.79 KAT2B (0.70) KAT2BMAPTPKMLMNAPRSS1
SCHEMBL1204829 0.79 KAT2B (0.70) KAT2BMAPTPKMLMNAVCAM1

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-2016073652-A1 IMINOSUGARS USEFUL FOR THE TREATMENT OF VIRAL DISEASES UNITHER VIROLOGY, LLC (US) 2016-05-12 — — WO disclosed
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