SCHEMBL6657560

SCHEMBL6657560

N#[N+]c1ccc(C(=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.50
CA1 P00915 17/20 0.50
CA4 P22748 1/20 0.46
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.34

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
Terephthalic Acid SCHEMBL31248127 0.82 CA2 (0.68) CA2CA1CA4MAPT
Terephthalic Acid SCHEMBL996090 0.82 CA2 (0.68) CA2CA1CA4MAPT
Terephthalic Acid SCHEMBL4450032 0.79 CA2 (0.65) CA2CA1CA4MAPT
SCHEMBL109690 0.78 TSHR (0.60) CA2CA1CA4
SCHEMBL16698658 0.78 CA2 (0.58) CA2CA1CA4USP2
SCHEMBL5371696 0.76 MAPT (0.48) MAPT
Terephthalic Acid SCHEMBL6665082 0.76 CA2 (0.68) CA2CA1CA4
Terephthalic Acid SCHEMBL166041 0.76 CA2 (0.68) CA2CA1CA4MAPT
Terephthalic Acid SCHEMBL2841686 0.76 CA2 (0.78) CA2CA1CA4
Terephthalic Acid SCHEMBL20704875 0.76 CA2 (0.68) CA2CA1CA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976798-B1 Covalent attachment of polymers onto macromolecular chromophores by nucleophilic substitution reaction for inkjet printing HEWLETT PACKARD CO (US) 2004-07-07 EP disclosed
US-6221932-B1 BONDED TO POLYMER HEWLETT-PACKARD COMPANY 2001-04-24 US disclosed
EP-0976798-A1 Covalent attachment of polymers onto macromolecular chromophores by nucleophilic substitution reaction for inkjet printing Hewlett-Packard Company (US) 2000-02-02 EP disclosed