SCHEMBL14980381

SCHEMBL14980381

CCCNC(=O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
ERN1 O75460 1/20 0.54
FYN P06241 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
ABL1 P00519 6/20 0.53
NAMPT P43490 2/20 0.53
GPR139 Q6DWJ6 1/20 0.51
DDR1 Q08345 2/20 0.50
BCR P11274 1/20 0.50
CHRM3 P20309 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL13753114 0.92 ALDH1A1 (0.64) ALDH1A1POLBL3MBTL1NAMPTGPR139
SCHEMBL13702288 0.81 GPR139 (0.60) ALDH1A1POLBNAMPTGPR139DDR1
SCHEMBL10294705 0.80 L3MBTL1 (0.60) ALDH1A1POLBERN1L3MBTL1NAMPT
SCHEMBL1927120 0.80 L3MBTL1 (0.67) ALDH1A1POLBERN1L3MBTL1HDAC1
SCHEMBL30837232 0.78 ABL1 (0.55) FYNABL1
SCHEMBL13753142 0.78 HDAC3 (0.66) HDAC3HDAC1
SCHEMBL1926939 0.78 HPGD (0.72) ALDH1A1POLBERN1FYNL3MBTL1
SCHEMBL1927385 0.78 ERN1 (0.63) ALDH1A1POLBERN1L3MBTL1HDAC1
SCHEMBL4598241 0.77 NAMPT (0.67) POLBABL1NAMPTGPR139DDR1
SCHEMBL24368055 0.77 DRD4 (0.56) CHRM3SMN1; SMN2

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
WO-2013074834-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF SAREPTA THERAPEUTICS, INC. (US) 2013-05-23 WO disclosed