SCHEMBL4097385

SCHEMBL4097385

CCCN(C(N)=Nn1ccnc1)n1ccnc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 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
SCHEMBL4106428 0.77 GRIN2D (0.33) TBXAS1
SCHEMBL4096036 0.74
SCHEMBL27872001 0.73 NFKB1 (0.37) TBXAS1
SCHEMBL6398854 0.72 EGLN3 (0.40) TBXAS1
SCHEMBL4094534 0.71 TBXAS1 (0.32) TBXAS1
SCHEMBL4094530 0.69 QPCT (0.39)
SCHEMBL4089017 0.68 CYP19A1 (0.31) TBXAS1
SCHEMBL28458584 0.68 EGLN3 (0.33) TBXAS1
SCHEMBL28025718 0.67 TBXAS1 (0.41) TBXAS1
SCHEMBL28026279 0.67 TBXAS1 (0.41) TBXAS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026754-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES Henkel AG & Co. KGaA (DE) 2009-02-25 EP disclosed
WO-2007137676-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO. KGAA (DE) 2007-12-06 WO disclosed