SCHEMBL30413993

SCHEMBL30413993

NCCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.64
POLB P06746 3/20 0.59
PRSS1 P07477 3/20 0.58
MAPT P10636 3/20 0.57
PKM P14618 1/20 0.57
KDM4E B2RXH2 1/20 0.57
DHFR P00374 1/20 0.57
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL17923845 1.00 KAT2B (0.64) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL4557828 1.00 KAT2B (0.64) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL2228171 1.00 KAT2B (0.64) KAT2BPOLBPRSS1MAPTPKM
Hydrochloric Acid SCHEMBL4699216 0.99 KAT2B (0.65) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL2228520 0.99 KAT2B (0.66) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL10622798 0.94 KAT2B (0.72) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL1344180 0.93 KAT2B (0.60) KAT2BPOLBPRSS1MAPTPKM
Hydrochloric Acid SCHEMBL21273381 0.92 KAT2B (0.61) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL502704 0.88 KAT2B (0.58) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL29375013 0.88 KAT2B (0.58) KAT2BPOLBPRSS1MAPTPKM

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
CN-116120257-B Fluorescent probe for indicating freshness of large yellow croaker as well as preparation method and application thereof 渤海大学 2024-04-30 CN disclosed
CN-116120257-A Fluorescent probe for indicating freshness of large yellow croaker as well as preparation method and application thereof 渤海大学 2023-05-16 CN disclosed