SCHEMBL5282551

SCHEMBL5282551

CCCCCCN1N=CN(F)C1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
GUSB P08236 2/20 0.30
EBP Q15125 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL5281850 0.94
SCHEMBL5279797 0.85
SCHEMBL5275696 0.84 TBXAS1 (0.33) TBXAS1GNAI3GNAO1GNAI1PTGS1
SCHEMBL5282642 0.84 TBXAS1 (0.34) TBXAS1GNAI3GNAO1GNAI1PTGS1
SCHEMBL5278719 0.82 EBP (0.33) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5276372 0.81 KDM4E (0.33) TBXAS1GNAI3GNAO1GNAI1PTGS1
SCHEMBL5274720 0.81 TBXAS1 (0.33) TBXAS1GNAI3GNAO1GNAI1PTGS1
SCHEMBL5286749 0.81 TBXAS1 (0.33) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5277675 0.81 TBXAS1 (0.33) TBXAS1GNAI3GNAO1GNAI1PTGS1
SCHEMBL5279091 0.81 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