SCHEMBL2328461

SCHEMBL2328461

Nc1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N)c5ccccc54)cc3)cc2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHKA P35790 10/20 0.97

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
Water SCHEMBL2550773 0.97 CHKA (0.97) CHKA
Water SCHEMBL14740255 0.92 CHKA (0.88) CHKA
Water SCHEMBL14739181 0.91 CHKA (0.86) CHKA
SCHEMBL2550131 0.90 CHKA (0.97) CHKA
Water SCHEMBL2332936 0.87 CHKA (0.80) CHKA
Water SCHEMBL14740004 0.87 CHKA (0.97) CHKA
SCHEMBL17021453 0.86 CHKA (0.73) CHKA
Bromide SCHEMBL14739897 0.84 CHKA (0.76) CHKA
Bromide SCHEMBL2331687 0.84 CHKA (0.76) CHKA
Bromide SCHEMBL14739040 0.84 CHKA (0.76) CHKA

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
EP-2533815-A1 NUCLEIC ACID COMPLEXES Procarta Biosystems Ltd (GB) 2012-12-19 EP disclosed
WO-2011098829-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2011-08-18 WO disclosed