SCHEMBL10198785

SCHEMBL10198785

[O-][S+](Nc1nc2ccccc2nc1Nc1ccccc1SC(F)(F)F)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ KHK P50053 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ RUNX1 Q01196 1/20 0.31
▸ CBFB Q13951 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ EGFR P00533 1/20 0.30

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
SCHEMBL1792102 0.74 MAPT (0.50) HTTALDH1A1HPGDMAPTKDM4E
SCHEMBL15256271 0.71 MAPT (0.40) HTTALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL189131 0.70 MAPT (0.55) HTTALDH1A1HPGDMAPTKDM4E
SCHEMBL14050665 0.70 MAPT (0.45) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL12292981 0.69 MAPT (0.39) HTTALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL24287526 0.68 MAPT (0.39) HTTALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL27518692 0.67 ALDH1A1 (0.50) HTTALDH1A1PKMHPGDL3MBTL1
SCHEMBL2192393 0.63 HTT (0.39) HTTALDH1A1PKMHPGDL3MBTL1
SCHEMBL2197156 0.62 L3MBTL1 (0.51) HTTALDH1A1PKMHPGDL3MBTL1
SCHEMBL12292714 0.62 PIK3CA (0.48) HTTMAPTKDM4ESMN1; SMN2LMNA

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
WO-2012006552-A1 COMBINATIONS OF KINASE INHIBITORS FOR THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2012-01-12 — — WO disclosed
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