SCHEMBL7871380

SCHEMBL7871380

Cc1cccc(-c2ccccc2Nc2ccc(CCCCCCI)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G1B P04054 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CHRM3 P20309 6/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7874942 0.91 HCAR2 (0.40) HCAR2FFAR1FFAR4KMT2AMEN1
SCHEMBL7871347 0.88 HCAR2 (0.39) HCAR2FFAR1FFAR4KMT2AMEN1
SCHEMBL7871392 0.84 PDE4B (0.37) HCAR2FFAR1FFAR4KMT2AMEN1
SCHEMBL7877470 0.83 L3MBTL1 (0.46) HCAR2FFAR1FFAR4KMT2AMEN1
SCHEMBL7871385 0.80 FFAR1 (0.45) FFAR1FFAR4KMT2AMEN1ALDH1A1
SCHEMBL130522 0.79 NPSR1 (0.46) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL17246941 0.77 NPSR1 (0.56) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL1505781 0.76 NPSR1 (0.43) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL332285 0.76 NPSR1 (0.44) KMT2AMEN1LMNAALDH1A1PLA2G1B
SCHEMBL7865722 0.75 MAPT (0.44) KMT2AMEN1NPC1RAB9ALMNA

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