SCHEMBL5246728

SCHEMBL5246728

CC(NC(=O)c1cn(-c2ccc(C(=O)NCC(F)(F)F)cc2OCCOCCF)nn1)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 4/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ MIF P14174 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ACACB O00763 1/20 0.30
▸ DDT P30046 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
SCHEMBL5248464 0.92 BRD4 (0.35) GLSL3MBTL1MIFPDE4APDE4B
SCHEMBL5244109 0.86 MIF (0.47) MIFALDH1A1GAAKMT2AMAPT
SCHEMBL5244507 0.85 BRD4 (0.40) MIFALDH1A1GAAPOLBMAPT
SCHEMBL3102931 0.83 TP53 (0.39) MAPTHPGD
SCHEMBL5246004 0.83 TAS1R3 (0.34) PTGER4DDT
SCHEMBL3104911 0.83 S1PR1 (0.41) —
SCHEMBL5244591 0.82 DDT (0.34) GLSMIFDDT
SCHEMBL5245155 0.81 KDM4E (0.44) MIFALDH1A1POLBMAPT
SCHEMBL5246041 0.81 MIF (0.45) GLSMIFPDE4APDE4BPDE4C
SCHEMBL5244708 0.80 DDT (0.35) GLSMIFDDT

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-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — EP disclosed
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