SCHEMBL20104866

SCHEMBL20104866

FC(F)(F)c1ccc(N(c2ccc(/C=C/C=C/c3ccc(-c4ccc(/C=C/C=C/c5ccc(N(c6ccc(C(F)(F)F)cc6)c6ccc(C(F)(F)F)cc6)cc5)cc4)cc3)cc2)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CYP1A2 P05177 1/20 0.44
KIF11 P52732 8/20 0.44
AHR P35869 1/20 0.43
PTGS1 P23219 1/20 0.43
FBP1 P09467 1/20 0.42
NQO2 P16083 1/20 0.42
APP P05067 1/20 0.41
HDAC3 O15379 1/20 0.41
ADAM17 P78536 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL20100708 0.92 CYP1A1 (0.48) CA1CA2CYP1A2KIF11AHR
SCHEMBL13978827 0.87 AHR (0.55) CA1CA2CYP1A2AHRPTGS1
SCHEMBL9970464 0.82 CYP1A2 (0.59) CA1CA2CYP1A2AHRPTGS1
SCHEMBL13267807 0.80 CA1 (0.68) CA1CA2CYP1A2KIF11AHR
SCHEMBL13636795 0.79 AHR (0.47) CA1CA2CYP1A2AHRPTGS1
SCHEMBL28777799 0.78 CYP1A2 (0.55) CA1CA2CYP1A2AHRPTGS1
SCHEMBL4298574 0.78 MGLL (0.50) KIF11
SCHEMBL23059907 0.77 KIF11 (0.75) KIF11
SCHEMBL18179954 0.77 KIF11 (0.68) CYP1A2KIF11
SCHEMBL10105976 0.77 MAOB (0.58) CA1CYP1A2APPHDAC3HDAC1

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
US-20180122587-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed