SCHEMBL17469290

SCHEMBL17469290

COc1cc2c(C(=O)C(F)(F)F)c(C(F)(F)F)n(C)c2cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
RORC P51449 3/20 0.35
ATM Q13315 1/20 0.34
CYP19A1 P11511 1/20 0.33
NQO2 P16083 1/20 0.33
P4HB P07237 1/20 0.33
MAPT P10636 1/20 0.33
SPR P35270 1/20 0.33
IDO1 P14902 1/20 0.33
HTT P42858 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
BRPF1 P55201 1/20 0.32

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
SCHEMBL17469277 0.87 KMT2A (0.40) KMT2AMEN1L3MBTL1ALDH1A1TSHR
SCHEMBL17469283 0.86 MEN1 (0.39) KMT2AMEN1L3MBTL1ALDH1A1TSHR
SCHEMBL17469291 0.86 KMT2A (0.56) KMT2AMEN1L3MBTL1ALDH1A1TSHR
SCHEMBL17469287 0.86 KMT2A (0.39) KMT2AMEN1L3MBTL1ALDH1A1TSHR
SCHEMBL17469288 0.81 MEN1 (0.40) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL17469272 0.78 MAPT (0.45) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL19322244 0.70 PDE3B (0.39) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL24236617 0.67 TSHR (0.45) ALDH1A1TSHRMAPTKDM4E
SCHEMBL17469273 0.67 POLB (0.46) ALDH1A1TSHRLMNAMAPTIDO1
SCHEMBL17469278 0.67 KDM4E (0.44) KMT2AMEN1ALDH1A1LMNAMAPT

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