SCHEMBL6004110

SCHEMBL6004110

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
ALOX15 P16050 2/20 0.38
CYP3A4 P08684 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
POLB P06746 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
MEN1 O00255 4/20 0.32
MAPT P10636 4/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL28301924 0.96 SMN1; SMN2 (0.38) SMN1; SMN2ALOX15CYP3A4CASP1CASP7
SCHEMBL2729599 0.89 SMN1; SMN2 (0.43) SMN1; SMN2ALOX15CYP3A4CASP1CASP7
SCHEMBL28136528 0.83 SMN1; SMN2 (0.38) SMN1; SMN2ALOX15CYP3A4CASP1CASP7
SCHEMBL3871150 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALOX15CYP3A4CASP1CASP7
SCHEMBL9617288 0.79 CD44 (0.35) SMN1; SMN2CYP3A4L3MBTL1ALDH1A1POLB
SCHEMBL6004102 0.77 CYP3A4 (0.41) SMN1; SMN2ALOX15CYP3A4CASP1CASP7
SCHEMBL2200522 0.77 SMN1; SMN2 (0.45) SMN1; SMN2ALOX15CYP3A4CASP1CASP7
SCHEMBL19837804 0.76 MMP2 (0.36) ALOX15L3MBTL1POLBTDP1MEN1
SCHEMBL3184799 0.76 KDM4E (0.44) CYP3A4ALDH1A1TDP1MAPTKDM4E
SCHEMBL6679994 0.76 KDM4E (0.44) CYP3A4ALDH1A1TDP1MAPTKDM4E

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