SCHEMBL4089017

SCHEMBL4089017

CCN(C(=N)N)n1ccnc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.31
NFKB1 P19838 1/20 0.31
QPCT Q16769 1/20 0.31
HSD17B10 Q99714 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
TBXAS1 P24557 1/20 0.31
EGLN3 Q9H6Z9 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 0.88 GRIN2D (0.33) TBXAS1
SCHEMBL4263794 0.80 TBXAS1 (0.33) CYP19A1NFKB1QPCTHSD17B10QPCTL
SCHEMBL27669114 0.80 EGLN3 (0.41) CYP19A1TBXAS1EGLN3
SCHEMBL4097060 0.77 NFKB1 (0.33) NFKB1QPCTHSD17B10QPCTL
SCHEMBL3917608 0.76 GRIN2D (0.34)
SCHEMBL4094534 0.74 TBXAS1 (0.32) TBXAS1
SCHEMBL29140832 0.71 TBXAS1 (0.40) TBXAS1
SCHEMBL28943482 0.70 QPCT (0.37) QPCTHSD17B10
SCHEMBL28026279 0.69 TBXAS1 (0.41) CYP19A1TBXAS1EGLN3
SCHEMBL28025718 0.69 TBXAS1 (0.41) CYP19A1TBXAS1EGLN3

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