SCHEMBL7068828

SCHEMBL7068828

FC(F)(F)c1cccnc1.FC(F)(F)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.57
KIF11 P52732 1/20 0.56
CYP3A4 P08684 4/20 0.53
CYP3A5 P20815 3/20 0.53
NPC1 O15118 1/20 0.49
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPY5R Q15761 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
KCNA5 P22460 1/20 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
SCHEMBL13577 1.00 CYP19A1 (0.57) CYP19A1KIF11CYP3A4CYP3A5NPC1
SCHEMBL29387897 1.00 CYP19A1 (0.57) CYP19A1KIF11CYP3A4CYP3A5NPC1
Lithium SCHEMBL30216964 0.98 CYP19A1 (0.55) CYP19A1KIF11CYP3A4CYP3A5NPC1
Water SCHEMBL27638122 0.98 CYP3A4 (0.56) CYP19A1KIF11CYP3A4CYP3A5NPC1
Hydrochloric Acid SCHEMBL21796041 0.98 CYP19A1 (0.55) CYP19A1KIF11CYP3A4CYP3A5NPC1
Ammonia Solution, Strong SCHEMBL28655959 0.98 CYP19A1 (0.55) CYP19A1KIF11CYP3A4CYP3A5NPC1
Benzene SCHEMBL29164330 0.98 CYP19A1 (0.55) CYP19A1KIF11CYP3A4CYP3A5NPC1
Bromide SCHEMBL29204966 0.98 CYP19A1 (0.55) CYP19A1KIF11CYP3A4CYP3A5NPC1
Lithium Ion SCHEMBL28974295 0.95 CYP19A1 (0.53) CYP19A1KIF11CYP3A4CYP3A5NPC1
Hydrazine SCHEMBL28287990 0.95 CYP19A1 (0.53) CYP19A1KIF11CYP3A4CYP3A5NPC1

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-1406909-A1 LUMINESCENT LANTHANIDE COMPLEXES WITH IMINE LIGANDS AND DEVICES MADE WITH SUCH COMPLEXES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-04-14 EP claimed
WO-2003008424-A1 LUMINESCENT LANTHANIDE COMPLEXES WITH IMINE LIGANDS AND DEVICES MADE WITH SUCH COMPLEXES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-01-30 WO claimed