SCHEMBL3387754

SCHEMBL3387754

NC(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.66
CSGALNACT1 Q8TDX6 1/20 0.66
MAPT P10636 8/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
NPC1 O15118 6/20 0.62
RAB9A P51151 5/20 0.62
KDM4E B2RXH2 5/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
HTT P42858 5/20 0.60
HPGD P15428 4/20 0.60
LMNA P02545 4/20 0.60
GAA P10253 3/20 0.60
MCL1 Q07820 3/20 0.60
TNF P01375 2/20 0.60
NOD1 Q9Y239 2/20 0.60
NR2F2 P24468 1/20 0.60
KLF5 Q13887 1/20 0.60
ALDH1A1 P00352 6/20 0.56
ALPL P05186 1/20 0.56

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
SCHEMBL3128570 0.90 DGAT1 (0.69) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL3387751 0.89 DGAT1 (0.65) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL3388733 0.88 DGAT1 (0.67) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761313 0.87 SMN1; SMN2 (0.77) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761569 0.82 DGAT1 (0.62) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761653 0.82 DGAT1 (0.82) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL2308058 0.82 DGAT1 (0.62) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
Bicarbonate SCHEMBL2307791 0.82 DGAT1 (0.61) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761939 0.82 DGAT1 (0.67) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
Bicarbonate SCHEMBL3390988 0.82 DGAT1 (0.65) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1

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
EP-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP claimed