SCHEMBL6041027

SCHEMBL6041027

NP(N)(=S)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 3/20 0.38
PKM P14618 2/20 0.38
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 1/20 0.34
MGLL Q99685 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
ALDH2 P05091 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32

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
SCHEMBL6041049 0.84
SCHEMBL6041009 0.78
SCHEMBL3071392 0.77 HPGD (0.59) GAAKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL434983 0.74 HPGD (0.65) GAAKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL6040985 0.73
SCHEMBL273145 0.72 MAPT (0.43) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL4256819 0.72 MAPT (0.43) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL6048121 0.69 ABCB11 (0.33) HPGDTDP1SMN1; SMN2ABCB11LMNA
SCHEMBL1246279 0.69 MMP1 (0.46) GAAKMT2AMEN1HSD17B10MAPT
SCHEMBL28237924 0.69 MAPT (0.41) GAAKMT2AMEN1ALDH1A1PKM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015020967-A1 NBPT SOLUTIONS FOR PREPARING UREASE INHIBITED UREA FERTILIZERS PREPARED FROM N-SUBSTITUTED MORPHOLINES WEYERHAEUSER NR COMPANY (US) 2015-02-12 WO disclosed
US-8888886-B1 NBPT solutions for preparing urease inhibited urea fertilizers prepared from N-substituted morpholines WHITEHURST ASSOCIATES, INC. 2014-11-18 US disclosed
EP-1632253-A1 Material for odour control BKI Holding Corporation (US) 2006-03-08 EP disclosed
WO-2006017441-A1 MATERIAL FOR ODOR CONTROL BKI HOLDING CORPORATION (US) 2006-02-16 WO disclosed
US-20060029567-A1 Material for odor control BKI HOLDING CORPORATION (US) 2006-02-09 US disclosed
EP-0119487-B1 NOVEL N-ALIPHATIC AND N,N-ALIPHATIC PHOSPHORIC TRIAMIDE UREASE INHIBITORS AND UREASE INHIBITED UREA BASED FERTILIZER COMPOSITIONS ALLIED CORPORATION (US) 1986-07-16 EP disclosed
US-4530714-A Capable of forming urea under use conditions ALLIED CORPORATION (US) 1985-07-23 US disclosed
EP-0119487-A1 Novel N-aliphatic and N,N-aliphatic phosphoric triamide urease inhibitors and urease inhibited urea based fertilizer compositions ALLIED CORPORATION (US) 1984-09-26 EP disclosed