SCHEMBL3915786

SCHEMBL3915786

NC(=NC1CCCC1)NC1CCCC1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.96
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
EPHX1 P07099 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3319901 0.98 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26456614 0.98 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3319896 0.98 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3060802 0.77 SIGMAR1 (0.65) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL249033 0.75
SCHEMBL250080 0.74 SIGMAR1 (0.91) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9060289 0.74 SIGMAR1 (0.58) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL11301865 0.73 SIGMAR1 (0.61) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL11297848 0.73 SIGMAR1 (0.61) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL28300346 0.73 SIGMAR1 (0.61) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4

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