SCHEMBL3978855

SCHEMBL3978855

N=C(N)NC(C1CCCC1)(C1CCCC1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.39
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 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
SCHEMBL3977832 0.98 NOS2 (0.37) NOS2LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3983126 0.76 MEN1 (0.37) NOS2LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL7665388 0.71 NOS2 (0.31) NOS2
SCHEMBL25280113 0.68 MEN1 (0.35) LMNAALDH1A1SMN1; SMN2MEN1ALOX12
SCHEMBL3980205 0.67 NOS2 (0.34) NOS2LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL16301147 0.66 SSTR4 (0.33) ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL3984204 0.66 NOS2 (0.33) NOS2LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3064939 0.65 NOS2 (0.42) NOS2LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3990011 0.63 NOS2 (0.31) NOS2LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL1237553 0.62 NOS2 (0.39) NOS2LMNAALDH1A1SMN1; SMN2MEN1

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