Sugi Predict

Sugi Predict / Compounds / SCHEMBL3164086

SCHEMBL3164086

SCHEMBL3164086

CN(c1ccc(Cl)cc1)c1cc[n+](C2([n+]3ccc(N(C)c4ccc(Cl)cc4)c4ccccc43)c3ccc(cc3)-c3ccc2cc3)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 19/20 0.61
▸ CHKB Q9Y259 2/20 0.46

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
Bromide SCHEMBL612817 0.99 CHKA (0.61) CHKACHKB
Bromide SCHEMBL2218782 0.87 CHKA (0.61) CHKACHKB
Bromide SCHEMBL2220815 0.86 CHKA (0.61) CHKACHKB
Bromide SCHEMBL2219359 0.77 CHKA (0.61) CHKACHKB
Rsm-932A Cation SCHEMBL16441051 0.76 CHKA (1.00) CHKACHKB
Rsm-932A Cation SCHEMBL29941165 0.76 CHKA (1.00) CHKACHKB
Rsm-932A Cation SCHEMBL29616554 0.75 CHKA (1.00) CHKACHKB
Bromide SCHEMBL2223549 0.74 CHKA (0.53) CHKACHKB
Bromide SCHEMBL2223547 0.68 CHKA (1.00) CHKACHKB
SCHEMBL30522270 0.64 CHKA (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1710236-B1 DERIVATIVES OF PYRIDINE AND QUINOLINE CONSEJO SUPERIOR INVESTIGACION (ES) 2010-03-24 — — EP claimed