SCHEMBL6004102

SCHEMBL6004102

Nc1ccccc1C(F)(F)C(F)(F)C(F)(F)c1ccccc1C(F)(F)C(F)(F)C(F)(F)c1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TSHR P16473 3/20 0.33
CUL4A Q13619 1/20 0.33
IDO1 P14902 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL9483114 0.98 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL9296553 0.93 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL15053474 0.91 CYP3A4 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL9297116 0.91 CYP3A4 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL6279751 0.88 SMN1; SMN2 (0.39) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL10660181 0.86 SMN1; SMN2 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL2255922 0.85 SMN1; SMN2 (0.36) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL6286272 0.85 SMN1; SMN2 (0.36) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3871150 0.83 SMN1; SMN2 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL6004110 0.77 SMN1; SMN2 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7092608-B2 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-15 US disclosed
US-7082244-B2 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2006-07-25 US disclosed
US-20060159413-A1 POLYIMIDE OPTICAL MATERIALS, POLYIMIDE PRECURSOR SOLUTIONS AND OPTICAL WAVEGUIDE ELEMENTS KABUSHIKI KAISHA TOSHIBA (JP) 2006-07-20 US disclosed
US-20040197064-A1 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2004-10-07 US disclosed