SCHEMBL4096348

SCHEMBL4096348

CCCNC(=N)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
EPHX1 P07099 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ADH1A P07327 2/20 0.36
ADH1C P00326 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
PHGDH O43175 1/20 0.34
NAAA Q02083 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
TSHR P16473 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL9792153 0.86 NAAA (0.51) EPHX1KMT2AMEN1NAAATSHR
SCHEMBL9792155 0.76 ALDH1A1 (0.35) ALDH1A1EPHX1SMN1; SMN2NAAATSHR
SCHEMBL4086315 0.74 PHGDH (0.40) ALDH1A1KDM4EADH1AADH1CKMT2A
SCHEMBL17777617 0.74 ADH1A (0.39) ALDH1A1ADH1AADH1CKMT2AMEN1
SCHEMBL9792159 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL19371365 0.73 ADH1A (0.38) ALDH1A1ADH1AADH1CL3MBTL1PHGDH
SCHEMBL3990010 0.73 ALDH1A1 (0.39) ALDH1A1EPHX1KDM4EADH1AADH1C
SCHEMBL3986172 0.71 PHGDH (0.37) ALDH1A1KDM4EADH1AADH1CKMT2A
SCHEMBL7563693 0.70 EPHX1 (0.47) ALDH1A1EPHX1KDM4EADH1AADH1C
SCHEMBL3295728 0.68 EPHX1 (0.43) ALDH1A1EPHX1KDM4ESMN1; SMN2MAPT

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