SCHEMBL7621771

SCHEMBL7621771

CCS(=O)(=O)O.NC(=O)CNCCO

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL8447495 0.92 MAOA (0.50) MAOAMAOB
SCHEMBL992989 0.85
Diethanolamine SCHEMBL11292760 0.80 CA1 (0.37) ALDH1A1
Monoethanolamine SCHEMBL28084893 0.79 MAOA (0.59) MAOAMAOBALDH1A1
SCHEMBL99940 0.77 MAOA (0.52) MAOAMAOB
SCHEMBL11143946 0.76 CYP2C19 (0.42)
Urea SCHEMBL28111873 0.75 MAOA (0.55) MAOAMAOBALDH1A1
Sulfuric Acid SCHEMBL17422921 0.74 MAOA (0.43) MAOAMAOBALDH1A1
SCHEMBL354221 0.73 MAOA (0.59) MAOAMAOB
Diethanolamine SCHEMBL27444292 0.73 MEN1 (0.33) MAOAMAOBALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436179-B1 MAGENTA INK CONTAINING COLORANT, WATER AND AT LEAST TWO WATER SOLUBLE ORGANIC SOLVENTS; LIGHTFASTNESS; GOOD COLOR REPRODUCIBILITY INCLUDING SECONDARY COLORS OF RED AND BLUE FUJI XEROX CO., LTD. (JP) 2002-08-20 US disclosed