SCHEMBL3980205

SCHEMBL3980205

N=C(N)NCC(C1CCCC1)(C1CCCC1)C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.34
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3984204 0.98 NOS2 (0.33) NOS2MEN1ALDH1A1LMNAALOX12
SCHEMBL3990011 0.79 NOS2 (0.31) NOS2MEN1ALDH1A1LMNAALOX12
SCHEMBL17198177 0.72 EPHX1 (0.47) NOS2MEN1KMT2ASMN1; SMN2
SCHEMBL17198874 0.71 EPHX1 (0.50) NOS2
SCHEMBL18624790 0.68 EPHX1 (0.43) NOS2MEN1KMT2ASMN1; SMN2
SCHEMBL3978855 0.67 NOS2 (0.39) NOS2MEN1ALDH1A1LMNAALOX12
SCHEMBL4762965 0.67
Hydrochloric Acid SCHEMBL28486010 0.67 EPHX1 (0.42) NOS2MEN1KMT2ASMN1; SMN2
SCHEMBL7448353 0.66 MEN1 (0.33) MEN1KMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL11562512 0.66 EPHX1 (0.45) MEN1KMT2ASMN1; SMN2

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