SCHEMBL5244708

SCHEMBL5244708

O=C(NCC(F)(F)F)c1ccc(-n2cc(C(=O)NCc3ccsc3)nn2)c(OCCOCCF)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DDT P30046 3/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ MIF P14174 3/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ GLS O94925 5/20 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
SCHEMBL5250068 0.91 BRD4 (0.36) DDTROCK2MIFPSEN1PSEN2
SCHEMBL5248109 0.89 EGLN1 (0.38) DDTLOXL2ROCK2MIFPSEN1
SCHEMBL5246041 0.89 MIF (0.45) DDTMIFPSEN1PSEN2APH1B
SCHEMBL5246077 0.88 MMP13 (0.37) DDTMIFPSEN1PSEN2APH1B
SCHEMBL5246799 0.88 PSEN1 (0.41) DDTMIFPSEN1PSEN2APH1B
SCHEMBL5246995 0.88 DDT (0.41) DDTROCK2MIFPSEN1PSEN2
SCHEMBL5247824 0.87 MMP13 (0.39) DDTROCK2MIFPSEN1PSEN2
SCHEMBL3111267 0.86 GLS (0.43) DDTROCK2MIFPSEN1PSEN2
SCHEMBL5244109 0.86 MIF (0.47) MIF
SCHEMBL5247166 0.86 EPHX2 (0.41) DDTMIFEPHX2

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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