SCHEMBL7526635

SCHEMBL7526635

[NH]c1cc2cccc[n+]2c2ccc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 11/20 0.57
CSNK2B P67870 11/20 0.57
CSNK2A1 P68400 11/20 0.57
PRKD3 O94806 2/20 0.41
PRKCG P05129 2/20 0.41
PRKCB P05771 2/20 0.41
PRKCA P17252 2/20 0.41
PRKCH P24723 2/20 0.41
PRKCI P41743 2/20 0.41
CSNK1A1 P48729 2/20 0.41
CSNK1D P48730 2/20 0.41
CSNK1E P49674 2/20 0.41
CSNK1G2 P78368 2/20 0.41
PRKCE Q02156 2/20 0.41
PRKCQ Q04759 2/20 0.41
PRKCZ Q05513 2/20 0.41
PRKCD Q05655 2/20 0.41
PRKD1 Q15139 2/20 0.41
CSNK1G1 Q9HCP0 2/20 0.41
TNNI3 P19429 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
SCHEMBL7525774 0.87 CSNK2A2 (0.66) CSNK2A2CSNK2BCSNK2A1PRKD3PRKCG
SCHEMBL11921355 0.82 CSNK2A2 (0.77) CSNK2A2CSNK2BCSNK2A1PRKD3PRKCG
SCHEMBL7526640 0.81 CSNK2A2 (0.75) CSNK2A2CSNK2BCSNK2A1PRKD3PRKCG
SCHEMBL12775843 0.81 CSNK2A2 (0.57) CSNK2A2CSNK2BCSNK2A1PRKD3PRKCG
SCHEMBL11921341 0.74 CSNK2A2 (0.97) CSNK2A2CSNK2BCSNK2A1PRKD3PRKCG
SCHEMBL7522602 0.71 CSNK2A2 (0.68) CSNK2A2CSNK2BCSNK2A1PRKD3PRKCG
SCHEMBL12775846 0.71 CSNK2A2 (0.66) CSNK2A2CSNK2BCSNK2A1PRKD3PRKCG
SCHEMBL7525776 0.71 CSNK2A2 (0.97) CSNK2A2CSNK2BCSNK2A1PRKD3PRKCG
Hydrochloric Acid SCHEMBL7238325 0.70 CSNK2A2 (0.56) CSNK2A2CSNK2BCSNK2A1PRKD3PRKCG
Hydrochloric Acid SCHEMBL7239186 0.68 TNNI3 (0.60) CSNK2A2CSNK2BCSNK2A1PRKD3PRKCG

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-0937044-B1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NAT RECH SCIENT (FR) 2002-01-30 EP disclosed
EP-0937044-A1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1999-08-25 EP disclosed
WO-1998005642-A1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-02-12 WO disclosed