SCHEMBL5250068

SCHEMBL5250068

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.36
▸ MIF P14174 2/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ DDT P30046 3/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL5244708 0.91 DDT (0.35) MIFROCK2GRM5NAMPTDDT
SCHEMBL5246767 0.89 MIF (0.47) BRD4MIFDDTPSEN1PSEN2
SCHEMBL5244706 0.89 ROCK2 (0.40) BRD4MIFROCK2DDTROCK1
SCHEMBL5244462 0.88 MAPT (0.40) BRD4MIF
SCHEMBL5245935 0.87 ROCK2 (0.41) BRD4MIFROCK2DDTROCK1
SCHEMBL5247395 0.86 DDT (0.43) MIFDDTPSEN1PSEN2APH1B
SCHEMBL5246709 0.86 ROCK2 (0.42) BRD4MIFROCK2DDTROCK1
SCHEMBL5247966 0.86 EPHX2 (0.43) MIF
SCHEMBL5247657 0.86 LMNA (0.46) BRD4MIFDDT
SCHEMBL5247626 0.86 MIF (0.48) MIFMAPK1

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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