SCHEMBL5248284

SCHEMBL5248284

CCNC(=O)c1ccc(-n2cc(C(=O)NCc3ccc(Cl)s3)nn2)c(OCCOCCF)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.37
▸ BRD4 O60885 5/20 0.34
▸ SCD O00767 3/20 0.34
▸ PRSS12 P56730 2/20 0.34
▸ MIF P14174 2/20 0.34
▸ GLS O94925 1/20 0.32
▸ APP P05067 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ HDAC8 Q9BY41 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
SCHEMBL5244299 0.92 BRD4 (0.35) BRD4
SCHEMBL5250280 0.91 NPSR1 (0.36) NPSR1SCDPRSS12MIFGLS
SCHEMBL5248058 0.90 PRSS12 (0.36) BRD4SCDPRSS12MIFHDAC8
SCHEMBL5247626 0.87 MIF (0.48) NPSR1MIF
SCHEMBL5247693 0.86 LOX (0.40) BRD4PRSS12MIFAPP
SCHEMBL5247657 0.85 LMNA (0.46) BRD4MIFNOTUMHDAC8
SCHEMBL5246767 0.85 MIF (0.47) BRD4MIFGLS
SCHEMBL5244706 0.85 ROCK2 (0.40) BRD4MIF
SCHEMBL5246245 0.85 ROCK2 (0.41) BRD4MIF
SCHEMBL5244462 0.84 MAPT (0.40) BRD4MIF

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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