SCHEMBL10622798

SCHEMBL10622798

NCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.72
POLB P06746 4/20 0.65
MAPT P10636 4/20 0.60
PKM P14618 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.58
PRSS1 P07477 3/20 0.55

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
SCHEMBL2228520 0.95 KAT2B (0.66) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL17923845 0.94 KAT2B (0.64) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL2228171 0.94 KAT2B (0.64) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL4557828 0.94 KAT2B (0.64) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL30413993 0.94 KAT2B (0.64) KAT2BPOLBMAPTPKMKDM4E
Hydrochloric Acid SCHEMBL4699216 0.93 KAT2B (0.65) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL502704 0.91 KAT2B (0.58) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL29375013 0.91 KAT2B (0.58) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL8147273 0.91 MAPT (0.65) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL8107611 0.91 MAPT (0.60) KAT2BPOLBMAPTPKMKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015163952-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2015-10-29 WO disclosed
US-4778752-A MONOCLONAL ANTIBODIES BINDING REDUCED GLYCOSYLATED PROTEINS; BLOOD ANALYSIS OF DIABETICS SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1988-10-18 US disclosed