SCHEMBL7874942

SCHEMBL7874942

Cc1cccc(-c2ccccc2Nc2ccc(CCI)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
KMT2A Q03164 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CHRM3 P20309 7/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL7871380 0.91 HCAR2 (0.37) HCAR2FFAR1FFAR4NPSR1L3MBTL1
SCHEMBL7877470 0.88 L3MBTL1 (0.46) HCAR2FFAR1FFAR4NPSR1L3MBTL1
SCHEMBL130522 0.84 NPSR1 (0.46) NPSR1L3MBTL1MEN1ALDH1A1LMNA
SCHEMBL7871347 0.84 HCAR2 (0.39) HCAR2FFAR1FFAR4NPSR1L3MBTL1
SCHEMBL17246941 0.82 NPSR1 (0.56) NPSR1L3MBTL1MEN1ALDH1A1LMNA
SCHEMBL7871392 0.82 PDE4B (0.37) HCAR2FFAR1FFAR4NPSR1L3MBTL1
SCHEMBL1505781 0.81 NPSR1 (0.43) NPSR1L3MBTL1MEN1ALDH1A1LMNA
SCHEMBL332285 0.81 NPSR1 (0.44) NPSR1L3MBTL1MEN1ALDH1A1LMNA
SCHEMBL7865722 0.80 MAPT (0.44) NPSR1L3MBTL1MEN1ALDH1A1LMNA
SCHEMBL7717151 0.79 NPSR1 (0.41) NPSR1L3MBTL1MEN1ALDH1A1LMNA

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-20010017155-A1 Of monovinylated triarylamine monomers; use in light emitting diodes or as components of photorefractive materials CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-08-30 US disclosed