SCHEMBL20100708

SCHEMBL20100708

Cc1ccc(N(c2ccc(C)cc2)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)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NFE2L2 Q16236 1/20 0.45
KIF11 P52732 3/20 0.41
APP P05067 1/20 0.40
CYP1A2 P05177 1/20 0.39
PTPN1 P18031 1/20 0.39
CDC25B P30305 1/20 0.39
DUSP3 P51452 1/20 0.39
ERBB2 P04626 2/20 0.38
AHR P35869 1/20 0.38
PTGS1 P23219 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
FBP1 P09467 1/20 0.37
NQO2 P16083 1/20 0.37

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
SCHEMBL20104866 0.92 CA1 (0.53) CA1CA2KIF11APPCYP1A2
SCHEMBL14200077 0.87 KIF11 (0.50) CYP1A1CYP1B1KIF11
SCHEMBL18294660 0.87 APP (0.50) CA1NFE2L2APPCYP1A2PTGS1
SCHEMBL17409156 0.87 KIF11 (0.50) CYP1A1CYP1B1KIF11
SCHEMBL17409153 0.87 KIF11 (0.50) CYP1A1CYP1B1KIF11
SCHEMBL16926002 0.83 NFE2L2 (0.54) CYP1A1CYP1B1NFE2L2APPERBB2
SCHEMBL16922650 0.83 NFE2L2 (0.54) CYP1A1CYP1B1NFE2L2APPERBB2
SCHEMBL13049996 0.82 APP (0.56) CA1NFE2L2APPPTGS1FBP1
SCHEMBL14490239 0.82 APP (0.56) CA1NFE2L2APPPTGS1FBP1
SCHEMBL14490262 0.82 APP (0.56) CA1NFE2L2APPPTGS1FBP1

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