SCHEMBL4957728

SCHEMBL4957728

BCCCCCC(c1cccc(Cl)c1)(c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.59
SCN5A Q14524 3/20 0.47
SCN9A Q15858 3/20 0.47
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP19A1 P11511 2/20 0.35
CHRM2 P08172 1/20 0.34
PNMT P11086 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4961602 0.93 KIF11 (0.63) KIF11SCN5ASCN9ACYP3A4CYP2D6
SCHEMBL4960840 0.79 KIF11 (0.37) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL809990 0.79 KCNN4 (0.39) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810137 0.77 KIF11 (0.57) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7661742 0.75 KIF11 (0.51) KIF11SCN5ASCN9ACYP3A4CYP2D6
SCHEMBL809896 0.73 KIF11 (0.41) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4961255 0.71 KCNN4 (0.41) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4959259 0.71 KIF11 (0.39) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL532850 0.69 KIF11 (0.61) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15051981 0.67 KIF11 (0.59) KIF11CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032576-B1 PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON ALPHA-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES CIBA SC HOLDING AG (CH) 2008-01-16 EP disclosed
US-6576684-B1 Ammonium, phosphonium or sulfonium containing oligomers or polymers; controlled molecular weight, low polydispersity and a vinyl or dienyl end group; polymeric precursors and addi-tives CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-10 US disclosed
EP-1112288-A1 THERMAL- AND PHOTOINITIATED RADICAL POLYMERIZATION IN THE PRESENCE OF AN ADDITION FRAGMENTATION AGENT Ciba SC Holding AG (CH) 2001-07-04 EP disclosed
EP-1032576-A1 PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON $g(a)-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES Ciba SC Holding AG (CH) 2000-09-06 EP disclosed
WO-2000011041-A1 THERMAL- AND PHOTOINITIATED RADICAL POLYMERIZATION IN THE PRESENCE OF AN ADDITION FRAGMENTATION AGENT CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-02 WO disclosed
WO-1998038195-A1 PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON α-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-09-03 WO disclosed