SCHEMBL5340378

SCHEMBL5340378

CCOc1c(C#N)c(C(F)(F)F)nn1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 3/20 0.48
HTT P42858 3/20 0.48
NCOA1 Q15788 2/20 0.48
NCOA3 Q9Y6Q9 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.40
MEN1 O00255 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
SCHEMBL16402642 0.82 LMNA (0.51) LMNAKMT2AMAPTHTTNCOA1
SCHEMBL13259552 0.77 POLB (0.35) LMNAKMT2AMAPTHTTNCOA1
SCHEMBL5432274 0.77 POLB (0.57) LMNAKMT2AMAPTHTTNCOA1
SCHEMBL14466825 0.76 POLB (0.41) LMNAKMT2AMAPTHTTNCOA1
SCHEMBL537595 0.73 SMN1; SMN2 (0.38) LMNAKMT2AMAPTHTTALDH1A1
SCHEMBL13184169 0.73 LMNA (0.55) LMNAKMT2AMAPTHTTNCOA1
SCHEMBL28724747 0.73 LMNA (0.43) LMNAKMT2AMAPTHTTNCOA1
SCHEMBL6744945 0.71 LMNA (0.58) LMNAKMT2AMAPTHTTNCOA1
SCHEMBL9518977 0.71 LMNA (0.54) LMNAKMT2AMAPTHTTNCOA1
SCHEMBL4625127 0.71 LMNA (0.54) LMNAKMT2AMAPTHTTNCOA1

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-2007084868-A2 TREATMENT OF DISORDERS BY ACTIVATION OF THE UNFOLDED PROTEIN RESPONSE KALYPSYS, INC. (US) 2007-07-26 WO disclosed