SCHEMBL26422658

SCHEMBL26422658

C=CNc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 6/20 0.51
MAPT P10636 6/20 0.50
GAA P10253 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
MMP2 P08253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
IDH2 P48735 2/20 0.49
HTT P42858 2/20 0.49
RAPGEF4 Q8WZA2 1/20 0.47
IDO1 P14902 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KIF11 P52732 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL9870952 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL227216 0.81 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL10985842 0.78 MAPT (0.55) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL29748950 0.77 MAPT (0.58) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL2925587 0.77 MAPT (0.58) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL394991 0.77 KIF11 (0.70) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL30406158 0.77 MAPT (0.49) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL16842506 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL21091040 0.77 MAPT (0.58) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL28825700 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTGAA

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
CN-107635969-A Process for the manufacture of crystalline forms of enzalutamide 安斯泰来制药有限公司 2018-01-26 CN disclosed