SCHEMBL6424941

SCHEMBL6424941

Cc1cc(C)c(NC(C)Nc2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 13/20 0.55
FFAR4 Q5NUL3 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37

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
Hydrochloric Acid SCHEMBL1013011 0.97 RAPGEF4 (0.52) RAPGEF4FFAR4ALDH1A1
Bromide SCHEMBL28294732 0.97 RAPGEF4 (0.52) RAPGEF4FFAR4ALDH1A1CA1CA2
SCHEMBL19367695 0.84 RAPGEF4 (0.55) RAPGEF4FFAR4ALDH1A1
SCHEMBL14587753 0.84 RAPGEF4 (0.55) RAPGEF4FFAR4ALDH1A1
SCHEMBL2354467 0.80 RAPGEF4 (0.50) RAPGEF4FFAR4ALDH1A1
Hydrochloric Acid SCHEMBL29113098 0.78 RAPGEF4 (0.48) RAPGEF4FFAR4ALDH1A1
SCHEMBL29113095 0.75 RAPGEF4 (0.44) RAPGEF4FFAR4ALDH1A1
SCHEMBL2775070 0.73 ALDH1A1 (0.46) RAPGEF4FFAR4ALDH1A1
SCHEMBL2775069 0.73 ALDH1A1 (0.46) RAPGEF4FFAR4ALDH1A1
SCHEMBL11177259 0.73 RAPGEF4 (0.43) RAPGEF4FFAR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024118568-A1 METHODS OF MAKING COMPOSITIONS FROM OLEFIN METATHESIS PHOTOPOLYMERS PolySpectra, Inc. (US) 2024-06-06 WO disclosed
EP-1372844-A4 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INST OF TECHN (US) 2005-10-12 EP disclosed
EP-1372844-A1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR California Institute of Technology (US) 2004-01-02 EP disclosed
WO-2003097562-A2 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-11-27 WO disclosed
WO-2002076613-A1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-10-03 WO disclosed