SCHEMBL5286749

SCHEMBL5286749

CCCCCCN1N=CN(F)C1Br

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.33
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
MGLL Q99685 2/20 0.31
FAAH O00519 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
SCHEMBL5282173 0.93
SCHEMBL5273419 0.82 TBXAS1 (0.34) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5278719 0.81 EBP (0.33) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5277963 0.81 TBXAS1 (0.33) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5282551 0.81 TBXAS1 (0.33) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5279091 0.79 TBXAS1 (0.33) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5276372 0.79 KDM4E (0.33) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5281099 0.79 TBXAS1 (0.33) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5278164 0.79 TBXAS1 (0.33) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5280846 0.79 TBXAS1 (0.33) TBXAS1PTGS1PTGS2MGLLFAAH

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-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed