SCHEMBL17469277

SCHEMBL17469277

COc1cc2c(C(=O)C(F)(F)F)c(C(F)(F)F)n(C)c2cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
IDO1 P14902 1/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.32
HTR2B P41595 1/20 0.31
SPR P35270 1/20 0.31
RORC P51449 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
MET P08581 1/20 0.30
MST1R Q04912 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 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
SCHEMBL17469290 0.87 KMT2A (0.42) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL17469291 0.86 KMT2A (0.56) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL17469287 0.86 KMT2A (0.39) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL17469283 0.86 MEN1 (0.39) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL17469288 0.81 MEN1 (0.40) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL24236617 0.79 TSHR (0.45) ALDH1A1TSHRMTNR1AMTNR1B
SCHEMBL17469272 0.78 MAPT (0.45) KMT2AMEN1L3MBTL1ALDH1A1HTT
SCHEMBL19322243 0.70 NCOA1 (0.41) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL17469273 0.67 POLB (0.46) ALDH1A1LMNATSHRIDO1HTT
SCHEMBL17469278 0.67 KDM4E (0.44) KMT2AMEN1ALDH1A1LMNAIDO1

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-2016014426-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS (US) 2016-01-28 WO disclosed