SCHEMBL5244601

SCHEMBL5244601

O=C(NCC(F)(F)F)c1ccc(-n2cc(C(=O)NCc3cc4ccccc4s3)nn2)c(OCCOCCF)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 4/20 0.40
▸ LOXL2 Q9Y4K0 4/20 0.40
▸ MIF P14174 3/20 0.35
▸ PRSS12 P56730 1/20 0.34
▸ GLS O94925 2/20 0.32
▸ LIPC P11150 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ DDT P30046 2/20 0.32
▸ APP P05067 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ DRD2 P14416 2/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL5247693 0.91 LOX (0.40) LOXLOXL2MIFPRSS12APP
SCHEMBL5244109 0.87 MIF (0.47) MIFSMN1; SMN2
SCHEMBL5246041 0.86 MIF (0.45) MIFGLSDDTEPHX2DRD2
SCHEMBL5250280 0.86 NPSR1 (0.36) MIFPRSS12GLSDDTEPHX2
SCHEMBL5246315 0.84 HPGD (0.39) EPHX2
SCHEMBL5244350 0.84 ROCK2 (0.38) MIFDDTPSEN1PSEN2APH1B
SCHEMBL5248109 0.83 EGLN1 (0.38) LOXL2MIFGLSDDTEPHX2
Trifluoroacetic Acid SCHEMBL5247737 0.83 GLS (0.42) GLSSMN1; SMN2
SCHEMBL3104911 0.83 S1PR1 (0.41) LOXL2DRD2DRD3
SCHEMBL5246077 0.83 MMP13 (0.37) MIFDDTEPHX2SMN1; SMN2PSEN1

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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