SCHEMBL1414752

SCHEMBL1414752

CC(c1ccc(F)cc1Cl)C(O)(c1cccc2cccnc12)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 8/20 0.45
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CD74 P04233 1/20 0.35
MIF P14174 1/20 0.35
P2RX7 Q99572 3/20 0.35
P4HB P07237 1/20 0.35
MDM4 O15151 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35

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
SCHEMBL1414601 0.90 KMT2A (0.46) MDM2KMT2AMEN1POLBHSP90AA1
SCHEMBL1414861 0.90 KMT2A (0.46) MDM2KMT2AMEN1POLBHSP90AA1
SCHEMBL1414549 0.90 KMT2A (0.46) MDM2KMT2AMEN1POLBHSP90AA1
SCHEMBL836906 0.80 MET (0.39) MDM2P2RX7
SCHEMBL837795 0.74 CNR2 (0.43) MDM2
SCHEMBL837576 0.74 NR3C1 (0.40) MDM2P2RX7
SCHEMBL480059 0.73 NT5E (0.38)
SCHEMBL837462 0.72 AR (0.35) MDM2P2RX7
SCHEMBL836784 0.71 PDE2A (0.39) MDM2
SCHEMBL837634 0.71 TRPV1 (0.38) KMT2AMEN1POLB

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
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP claimed