SCHEMBL5248464

SCHEMBL5248464

CCNC(=O)c1ccc(-n2cc(C(=O)NC(C)c3cccs3)nn2)c(OCCOCCF)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ MIF P14174 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GLS O94925 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 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
SCHEMBL5246728 0.92 GLS (0.34) L3MBTL1MIFPDE4APDE4BPDE4C
SCHEMBL5247626 0.86 MIF (0.48) MIFALDH1A1GAAKMT2AMAPT
SCHEMBL5246911 0.85 NPC1 (0.45) BRD4MIFALDH1A1GAAPOLB
SCHEMBL5247572 0.82 TAS1R3 (0.36) BRD4
SCHEMBL5244465 0.81 KDM4E (0.47) MIFALDH1A1POLBMAPT
SCHEMBL5246767 0.81 MIF (0.47) BRD4L3MBTL1MIFALDH1A1GAA
SCHEMBL5245552 0.81 PDE10A (0.36) BRD4MIFGLS
SCHEMBL5250068 0.80 BRD4 (0.36) BRD4MIF
SCHEMBL5248700 0.80 ROCK2 (0.41) BRD4MIFPDE4DALDH1A1KMT2A
SCHEMBL5246426 0.80 BRD4 (0.41) 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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