SCHEMBL17469287

SCHEMBL17469287

COc1cc2c(C(=O)C(F)(F)F)c(C(F)(F)F)n(C)c2cc1I

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 1/20 0.32
MLYCD O95822 1/20 0.32
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
ATM Q13315 1/20 0.31
SPR P35270 1/20 0.30
RORC P51449 1/20 0.30
GSK3B P49841 1/20 0.30
HTT P42858 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
SCHEMBL17469277 0.86 KMT2A (0.40) KMT2AMEN1L3MBTL1ALDH1A1TSHR
SCHEMBL17469290 0.86 KMT2A (0.42) KMT2AMEN1L3MBTL1ALDH1A1TSHR
SCHEMBL17469291 0.85 KMT2A (0.56) KMT2AMEN1L3MBTL1ALDH1A1TSHR
SCHEMBL17469283 0.85 MEN1 (0.39) KMT2AMEN1L3MBTL1ALDH1A1TSHR
SCHEMBL17469288 0.80 MEN1 (0.40) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL17469272 0.77 MAPT (0.45) KMT2AMEN1L3MBTL1ALDH1A1HTT
SCHEMBL19322241 0.71 PDE3B (0.39) KMT2AMEN1L3MBTL1ALDH1A1TSHR
SCHEMBL24236617 0.66 TSHR (0.45) ALDH1A1TSHRMTNR1AMTNR1B
SCHEMBL17469278 0.66 KDM4E (0.44) KMT2AMEN1ALDH1A1LMNAIDO1
SCHEMBL17469273 0.66 POLB (0.46) ALDH1A1TSHRLMNAIDO1MTNR1A

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