SCHEMBL5245552

SCHEMBL5245552

CCNC(=O)c1ccc(-n2cc(C(=O)NCc3sccc3C)nn2)c(OCCOCCF)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.36
▸ MIF P14174 2/20 0.35
▸ BRD4 O60885 5/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GLS O94925 1/20 0.32
▸ DDT P30046 2/20 0.32
▸ APP P05067 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 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
SCHEMBL5244591 0.92 DDT (0.34) PDE10AMIFLMNAMAPK1GLS
SCHEMBL5247626 0.87 MIF (0.48) MIFLMNAMAPK1
SCHEMBL5244706 0.86 ROCK2 (0.40) PDE10AMIFBRD4DDTHTR7
SCHEMBL5244462 0.86 MAPT (0.40) MIFBRD4
SCHEMBL5250068 0.85 BRD4 (0.36) MIFBRD4MAPK1DDTPSEN1
SCHEMBL5246579 0.85 WDR5 (0.38) MIFBRD4GLSAPPBRD2
SCHEMBL5246767 0.85 MIF (0.47) MIFBRD4LMNAGLSDDT
SCHEMBL5244336 0.84 ROCK2 (0.42) PDE10ABRD4GLSHTR7
SCHEMBL5246709 0.84 ROCK2 (0.42) PDE10AMIFBRD4LMNAGLS
SCHEMBL5245898 0.84 PPARG (0.40) PDE10ABRD4

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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